Standard Article

(R)-2-Hydroxy-2′-methoxy-1,1′-binaphthyl

  1. Kazuaki Ishihara,
  2. Hisashi Yamamoto,
  3. Dominic Fiset

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn00119.pub2

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Ishihara, K., Yamamoto, H. and Fiset, D. 2013. (R)-2-Hydroxy-2′-methoxy-1,1′-binaphthyl. e-EROS Encyclopedia of Reagents for Organic Synthesis.

Author Information

  1. Nagoya University, Nagoya, Japan

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 138
Compound Information
Drug synonym:Not Available
Molecular Weight:300.3505
Molecular Formula:C21H16O2
SMILES:COC1=CC=C2C=CC=CC2=C1C1=C(O)C=CC2=CC=CC=C12
InChI:1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
InChIKey:SYSSVMYYSHYMAQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.5367
Molecular Formula:C15H26O2Si2
SMILES:[H][C@]12C[C@]([H])(C=C1)C1C2C(O[Si](C)(C)C)=C1O[Si](C)(C)C
InChI:1S/C15H26O2Si2/c1-18(2,3)16-14-12-10-7-8-11(9-10)13(12)15(14)17-19(4,5)6/h7-8,10-13H,9H2,1-6H3/t10-,11+,12?,13?
InChIKey:VGWBRZKYHYAIID-MPEURRAXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:[H][C@@]12C[C@@]([H])(C=C1)C1C2[C@H](O)C1=O
InChI:1S/C9H10O2/c10-8-6-4-1-2-5(3-4)7(6)9(8)11/h1-2,4-8,10H,3H2/t4-,5+,6?,7?,8-/m0/s1
InChIKey:UDDIWRLVXQHDBU-HUSUTMORSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:286.324
Molecular Formula:C20H14O2
SMILES:OC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1O
InChI:1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKey:PPTXVXKCQZKFBN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:260.52
Molecular Formula:Cl4Sn
SMILES:Cl[Sn](Cl)(Cl)Cl
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:328.4037
Molecular Formula:C23H20O2
SMILES:CC(C)OC1=CC=C2C=CC=CC2=C1C1=C(O)C=CC2=CC=CC=C12
InChI:1S/C23H20O2/c1-15(2)25-21-14-12-17-8-4-6-10-19(17)23(21)22-18-9-5-3-7-16(18)11-13-20(22)24/h3-15,24H,1-2H3
InChIKey:XINNOXGBOUMCOO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.5367
Molecular Formula:C15H26O2Si2
SMILES:CC(=C(O[Si](C)(C)C)O[Si](C)(C)C)C1=CC=CC=C1
InChI:1S/C15H26O2Si2/c1-13(14-11-9-8-10-12-14)15(16-18(2,3)4)17-19(5,6)7/h8-12H,1-7H3
InChIKey:MMPFDGLVMGJLFG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:[H][C@@](C)(C(O)=O)C1=CC=CC=C1
InChI:1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChIKey:YPGCWEMNNLXISK-ZETCQYMHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:CC1=CC=CC(C)=C1O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:246.4201
Molecular Formula:C15H22OSi
SMILES:C[Si](C)(C)OC1=C(CCCC1)C1=CC=CC=C1
InChI:1S/C15H22OSi/c1-17(2,3)16-15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKey:AGNAFTSIVDFRQA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.239
Molecular Formula:C12H14O
SMILES:O=C1CCCC[C@H]1C1=CC=CC=C1
InChI:1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2/t11-/m0/s1
InChIKey:DRLVMOAWNVOSPE-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:295.01
Molecular Formula:C13H20Sn
SMILES:C\C(=C/C[Sn](C)(C)C)C1=CC=CC=C1
InChI:1S/C10H11.3CH3.Sn/c1-3-9(2)10-7-5-4-6-8-10;;;;/h3-8H,1H2,2H3;3*1H3;/b9-3+;;;;
InChIKey:CHRRAFUDGGVWAI-XQZINANISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.2023
Molecular Formula:C10H12
SMILES:C[C@@H](C=C)C1=CC=CC=C1
InChI:1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3/t9-/m0/s1
InChIKey:CHPXLAPHLQIKCA-VIFPVBQESA-N
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.07
Molecular Formula:C16H24Sn
SMILES:C[Sn](C)(C)CC1=C(CCCC1)C1=CC=CC=C1
InChI:1S/C13H15.3CH3.Sn/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;;;;/h2-4,8-9H,1,5-7,10H2;3*1H3;
InChIKey:ZAFNUGMBDZBWCE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.2661
Molecular Formula:C13H16
SMILES:[H][C@]1(CCCCC1=C)C1=CC=CC=C1
InChI:1S/C13H16/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,8-9,13H,1,5-7,10H2/t13-/m1/s1
InChIKey:KFODIVKLRHZZTF-CYBMUJFWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:228.2863
Molecular Formula:C15H16O2
SMILES:[H]OC1=CC=CC=C1C1=CC=CC=C1OC(C)C
InChI:1S/C15H16O2/c1-11(2)17-15-10-6-4-8-13(15)12-7-3-5-9-14(12)16/h3-11,16H,1-2H3
InChIKey:LCMDTTHOXHEUIJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.642
Molecular Formula:C3H9ClSi
SMILES:C[Si](C)(C)Cl
InChI:1S/C3H9ClSi/c1-5(2,3)4/h1-3H3
InChIKey:IJOOHPMOJXWVHK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3929
Molecular Formula:C16H28O
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\CCO
InChI:1S/C16H28O/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17/h8,10,12,17H,5-7,9,11,13H2,1-4H3/b15-10+,16-12+
InChIKey:KOICZDDAVPYKKX-NCZFFCEISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3929
Molecular Formula:C16H28O
SMILES:[H][C@]12CCO[C@]1(C)CCC1C(C)(C)CCC[C@]21C
InChI:1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12?,13-,15+,16-/m1/s1
InChIKey:YPZUZOLGGMJZJO-BHUMPYGKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3929
Molecular Formula:C16H28O
SMILES:[H][C@]12CCO[C@]1(C)CCC1C(C)(C)CCC[C@@]21C
InChI:1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12?,13-,15-,16-/m1/s1
InChIKey:YPZUZOLGGMJZJO-RGWLBATNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3929
Molecular Formula:C16H28O
SMILES:[H][C@@]12CCO[C@]1(C)CCC1C(C)(C)CCC[C@]21C
InChI:1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12?,13-,15-,16+/m0/s1
InChIKey:YPZUZOLGGMJZJO-VMIYWNJYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3929
Molecular Formula:C16H28O
SMILES:[H][C@@]12CCO[C@@]1(C)CCC1C(C)(C)CCC[C@@]21C
InChI:1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12?,13-,15+,16-/m0/s1
InChIKey:YPZUZOLGGMJZJO-ZMLGBVNGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3453
Molecular Formula:C16H22O
SMILES:[H]OC1=CC=CC=C1C\C=C(/C)CCC=C(C)C
InChI:1S/C16H22O/c1-13(2)7-6-8-14(3)11-12-15-9-4-5-10-16(15)17/h4-5,7,9-11,17H,6,8,12H2,1-3H3/b14-11+
InChIKey:GWMVTXXXCDWZQS-SDNWHVSQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3453
Molecular Formula:C16H22O
SMILES:[H][C@@]12CC3=CC=CC=C3O[C@@]1(C)CCCC2(C)C
InChI:1S/C16H22O/c1-15(2)9-6-10-16(3)14(15)11-12-7-4-5-8-13(12)17-16/h4-5,7-8,14H,6,9-11H2,1-3H3/t14-,16-/m0/s1
InChIKey:UDJCZXGJYFBOFE-HOCLYGCPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3453
Molecular Formula:C16H22O
SMILES:[H][C@@]12CC3=CC=CC=C3O[C@]1(C)CCCC2(C)C
InChI:1S/C16H22O/c1-15(2)9-6-10-16(3)14(15)11-12-7-4-5-8-13(12)17-16/h4-5,7-8,14H,6,9-11H2,1-3H3/t14-,16+/m0/s1
InChIKey:UDJCZXGJYFBOFE-GOEBONIOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:390.43
Molecular Formula:C27H18O3
SMILES:OC1=CC=C2C=CC=CC2=C1C1=C(OC(=O)C2=CC=CC=C2)C=CC2=CC=CC=C12
InChI:1S/C27H18O3/c28-23-16-14-18-8-4-6-12-21(18)25(23)26-22-13-7-5-9-19(22)15-17-24(26)30-27(29)20-10-2-1-3-11-20/h1-17,28H
InChIKey:LGATZCXGWOMONE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3453
Molecular Formula:C16H22O
SMILES:CC(C)=CCC\C(C)=C\COC1=CC=CC=C1
InChI:1S/C16H22O/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChIKey:OSNYSUVPOZLCFR-NTCAYCPXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:404.5842
Molecular Formula:C28H36O2
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1=CC=C(OCC2=CC=CC=C2)C=C1
InChI:1S/C28H36O2/c1-23(2)10-8-11-24(3)12-9-13-25(4)20-21-29-27-16-18-28(19-17-27)30-22-26-14-6-5-7-15-26/h5-7,10,12,14-20H,8-9,11,13,21-22H2,1-4H3/b24-12+,25-20+
InChIKey:LANVSBHRQSQXQI-NKWSUHGFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.0886
Molecular Formula:C4H6O3
SMILES:CC(=O)OC(C)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:356.4984
Molecular Formula:C23H32O3
SMILES:[H][C@]12CC[C@]3(C)OC4=CC=C(OC(C)=O)C=C4C[C@@]3([H])[C@]1(C)CCCC2(C)C
InChI:1S/C23H32O3/c1-15(24)25-17-7-8-18-16(13-17)14-20-22(4)11-6-10-21(2,3)19(22)9-12-23(20,5)26-18/h7-8,13,19-20H,6,9-12,14H2,1-5H3/t19-,20+,22-,23+/m1/s1
InChIKey:IRIRWEACXZOQKC-SKWRMQMOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.42
Molecular Formula:Pd
SMILES:[Pd]
InChI:1S/Pd
InChIKey:KDLHZDBZIXYQEI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:46.0684
Molecular Formula:C2H6O
SMILES:CCO
InChI:1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:101.19
Molecular Formula:C6H15N
SMILES:CCN(CC)CC
InChI:1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
InChIKey:ZMANZCXQSJIPKH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1677
Molecular Formula:C7H10N2
SMILES:CN(C)C1=CC=NC=C1
InChI:1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
InChIKey:VHYFNPMBLIVWCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:482.7715
Molecular Formula:C33H42OSi
SMILES:CC(C)=CCC\C(C)=C\CCC1=CC=C(O[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)C=C1
InChI:1S/C33H42OSi/c1-27(2)15-13-16-28(3)17-14-18-29-23-25-30(26-24-29)34-35(33(4,5)6,31-19-9-7-10-20-31)32-21-11-8-12-22-32/h7-12,15,17,19-26H,13-14,16,18H2,1-6H3/b28-17+
InChIKey:GZTAXXMWDFGUCU-OGLMXYFKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.3719
Molecular Formula:C17H24O
SMILES:[H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1(C)CCCC2(C)C
InChI:1S/C17H24O/c1-16(2)9-4-10-17(3)14-11-13(18)7-5-12(14)6-8-15(16)17/h5,7,11,15,18H,4,6,8-10H2,1-3H3/t15-,17+/m0/s1
InChIKey:DVRNZIIXOYTWET-DOTOQJQBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.3719
Molecular Formula:C17H24O
SMILES:[H][C@@]1(CCC2=CC=C(O)C=C2)C(C)=CCCC1(C)C
InChI:1S/C17H24O/c1-13-5-4-12-17(2,3)16(13)11-8-14-6-9-15(18)10-7-14/h5-7,9-10,16,18H,4,8,11-12H2,1-3H3/t16-/m1/s1
InChIKey:NOZWPHLEVRSGCH-MRXNPFEDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.3719
Molecular Formula:C17H24O
SMILES:[H][C@@]1(CCC2=CC=C(O)C=C2)C(=C)CCCC1(C)C
InChI:1S/C17H24O/c1-13-5-4-12-17(2,3)16(13)11-8-14-6-9-15(18)10-7-14/h6-7,9-10,16,18H,1,4-5,8,11-12H2,2-3H3/t16-/m1/s1
InChIKey:UTKDXTOHYADWAQ-MRXNPFEDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:261.4621
Molecular Formula:C16H36FN
SMILES:[F-].CCCC[N+](CCCC)(CCCC)CCCC
InChI:1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey:FPGGTKZVZWFYPV-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:C1CCOC1
InChI:1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:394.437
Molecular Formula:C27H19FO2
SMILES:OC1=CC=C2C=CC=CC2=C1C1=C(OCC2=CC=CC=C2F)C=CC2=CC=CC=C12
InChI:1S/C27H19FO2/c28-23-12-6-3-9-20(23)17-30-25-16-14-19-8-2-5-11-22(19)27(25)26-21-10-4-1-7-18(21)13-15-24(26)29/h1-16,29H,17H2
InChIKey:SDGOGTATDZIGDY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.0233
Molecular Formula:C2HF3O2
SMILES:OC(=O)C(F)(F)F
InChI:1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey:DTQVDTLACAAQTR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:286.4516
Molecular Formula:C20H30O
SMILES:[H][C@@]12CCC3=C(C=C(O)C(=C3)C(C)C)[C@@]1(C)CCCC2(C)C
InChI:1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
InChIKey:QXNWVJOHUAQHLM-AZUAARDMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:482.7715
Molecular Formula:C33H42OSi
SMILES:CC(C)=CCC\C(C)=C\CCC1=CC=CC(O[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)=C1
InChI:1S/C33H42OSi/c1-27(2)16-13-17-28(3)18-14-19-29-20-15-21-30(26-29)34-35(33(4,5)6,31-22-9-7-10-23-31)32-24-11-8-12-25-32/h7-12,15-16,18,20-26H,13-14,17,19H2,1-6H3/b28-18+
InChIKey:XGKLHMQGXJICRL-MTDXEUNCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:286.4085
Molecular Formula:C19H26O2
SMILES:[H][C@@]12CCC3=C(C=CC(OC(C)=O)=C3)[C@@]1(C)CCCC2(C)C
InChI:1S/C19H26O2/c1-13(20)21-15-7-8-16-14(12-15)6-9-17-18(2,3)10-5-11-19(16,17)4/h7-8,12,17H,5-6,9-11H2,1-4H3/t17-,19+/m0/s1
InChIKey:GNUXXTMPJILJCB-PKOBYXMFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:141.928
Molecular Formula:C4H10BF3O
SMILES:FB(F)F.CCOCC
InChI:1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;
InChIKey:KZMGYPLQYOPHEL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:61.04
Molecular Formula:CH3NO2
SMILES:C[N+]([O-])=O
InChI:1S/CH3NO2/c1-2(3)4/h1H3
InChIKey:LYGJENNIWJXYER-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:246.3877
Molecular Formula:C17H26O
SMILES:[H][C@]12CCC(=O)C=C1CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChI:1S/C17H26O/c1-16(2)9-4-10-17(3)14-7-6-13(18)11-12(14)5-8-15(16)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17+/m0/s1
InChIKey:ZQKGWPOFOVJYTD-YQQAZPJKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:310.5161
Molecular Formula:C23H34
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1=CC=CC(C)=C1
InChI:1S/C23H34/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-16-23-17-9-15-22(5)18-23/h9-10,12,14-15,17-18H,6-8,11,13,16H2,1-5H3/b20-12+,21-14+
InChIKey:MWKLPYLIXRGXIN-KDXVVQHGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:310.5161
Molecular Formula:C23H34
SMILES:[H][C@@]12CC[C@@]3(C)C4=C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)C=C(C)C=C4
InChI:1S/C23H34/c1-16-7-9-18-17(15-16)8-10-20-22(18,4)14-11-19-21(2,3)12-6-13-23(19,20)5/h7,9,15,19-20H,6,8,10-14H2,1-5H3/t19-,20-,22-,23-/m0/s1
InChIKey:JVDVQORKNFGWKQ-SQOUVECCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:120.1485
Molecular Formula:C8H8O
SMILES:CC(=O)C1=CC=CC=C1
InChI:1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey:KWOLFJPFCHCOCG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:255.501
Molecular Formula:C6H14BaO2
SMILES:CC(C)O[Ba]OC(C)C
InChI:1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKey:CPUJSIVIXCTVEI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:90.121
Molecular Formula:C4H10O2
SMILES:COCCOC
InChI:1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKey:XTHFKEDIFFGKHM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:410.1
Molecular Formula:C17H14Br2O2
SMILES:BrC1=CC=CC=C1O[C@@H]1C[C@H](OC2=C(Br)C=CC=C2)C=C1
InChI:1S/C17H14Br2O2/c18-14-5-1-3-7-16(14)20-12-9-10-13(11-12)21-17-8-4-2-6-15(17)19/h1-10,12-13H,11H2/t12-,13+
InChIKey:MLGZXFKRYXXISS-BETUJISGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:158.1965
Molecular Formula:C11H10O
SMILES:[H][C@]12CC=C[C@@]1([H])C1=C(O2)C=CC=C1
InChI:1S/C11H10O/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-6,9,11H,7H2/t9-,11-/m0/s1
InChIKey:IXJYPGQHNBVWDL-ONGXEEELSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:64.055
Molecular Formula:C4H9Li
SMILES:[Li]CCCC
InChI:1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;
InChIKey:MZRVEZGGRBJDDB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:306.284
Molecular Formula:C21H15LiO2
SMILES:[Li+].COC1=C(C2=CC=CC=C2C=C1)C1=C2C=CC=CC2=CC=C1[O-]
InChI:1S/C21H16O2.Li/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22;/h2-13,22H,1H3;/q;+1/p-1
InChIKey:JLKUJEAPMBFNLI-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:422.558
Molecular Formula:C30H30O2
SMILES:CC(C)=CCC\C(C)=C/COC1=CC=C2C=CC=CC2=C1C1=C(O)C=CC2=CC=CC=C12
InChI:1S/C30H30O2/c1-21(2)9-8-10-22(3)19-20-32-28-18-16-24-12-5-7-14-26(24)30(28)29-25-13-6-4-11-23(25)15-17-27(29)31/h4-7,9,11-19,31H,8,10,20H2,1-3H3/b22-19-
InChIKey:HUUDFMUNTPOULG-QOCHGBHMSA-N
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Compound Information
Drug synonym:dipentene, limonene
Molecular Weight:136.234
Molecular Formula:C10H16
SMILES:CC(=C)C1CCC(C)=CC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.695
Molecular Formula:C10H17Cl
SMILES:CC1=CCC(CC1)C(C)(C)Cl
InChI:1S/C10H17Cl/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9H,5-7H2,1-3H3
InChIKey:JDMWYZSPJDXSOB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:436.5846
Molecular Formula:C31H32O2
SMILES:COC1=C(C2=CC=CC=C2C=C1)C1=C2C=CC=CC2=CC=C1OC\C=C(\C)CCC=C(C)C
InChI:1S/C31H32O2/c1-22(2)10-9-11-23(3)20-21-33-29-19-17-25-13-6-8-15-27(25)31(29)30-26-14-7-5-12-24(26)16-18-28(30)32-4/h5-8,10,12-20H,9,11,21H2,1-4H3/b23-20-
InChIKey:JSCVZTKZTTYYKQ-ATJXCDBQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:526.6641
Molecular Formula:C37H34O3
SMILES:CC(C)=CCC\C(C)=C/COC1=CC=C2C=CC=CC2=C1C1=C(OC(=O)C2=CC=CC=C2)C=CC2=CC=CC=C12
InChI:1S/C37H34O3/c1-26(2)12-11-13-27(3)24-25-39-33-22-20-28-14-7-9-18-31(28)35(33)36-32-19-10-8-15-29(32)21-23-34(36)40-37(38)30-16-5-4-6-17-30/h4-10,12,14-24H,11,13,25H2,1-3H3/b27-24-
InChIKey:OLQMMCJOSVGIQP-PNHLSOANSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:594.662
Molecular Formula:C38H33F3O3
SMILES:CC(C)=CCC\C(C)=C/COc1ccc2ccccc2c1-c1c(OC(=O)c2ccc(cc2)C(F)(F)F)ccc2ccccc12
InChI:1S/C38H33F3O3/c1-25(2)9-8-10-26(3)23-24-43-33-21-17-27-11-4-6-13-31(27)35(33)36-32-14-7-5-12-28(32)18-22-34(36)44-37(42)29-15-19-30(20-16-29)38(39,40)41/h4-7,9,11-23H,8,10,24H2,1-3H3/b26-23-
InChIKey:HDQHYQYSJBICPQ-RWEWTDSWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:C1CCC2OC2C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:399.135
Molecular Formula:C23H21GaO2
SMILES:COc1ccc2ccccc2c1-c1c(O[Ga](C)C)ccc2ccccc12
InChI:1S/C21H16O2.2CH3.Ga/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22;;;/h2-13,22H,1H3;2*1H3;/q;;;+1/p-1
InChIKey:PRMHJKOLPFGBDX-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:475.231
Molecular Formula:C29H25GaO2
SMILES:C[Ga](C)Oc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12
InChI:1S/C27H20O2.2CH3.Ga/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19;;;/h1-17,28H,18H2;2*1H3;/q;;;+1/p-1
InChIKey:ZIKVIHZGEIIRRQ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:441.214
Molecular Formula:C26H27GaO2
SMILES:C[Ga](C)Oc1ccc2ccccc2c1-c1c(OC(C)(C)C)ccc2ccccc12
InChI:1S/C24H22O2.2CH3.Ga/c1-24(2,3)26-21-15-13-17-9-5-7-11-19(17)23(21)22-18-10-6-4-8-16(18)12-14-20(22)25;;;/h4-15,25H,1-3H3;2*1H3;/q;;;+1/p-1
InChIKey:RSYRYSGQXQRDHS-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:350.735
Molecular Formula:C20H12ClO2P
SMILES:ClP1OC2=CC=C3C=CC=CC3=C2C2=C(O1)C=CC1=CC=CC=C21
InChI:1S/C20H12ClO2P/c21-24-22-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24/h1-12H
InChIKey:OVSINNBCLPSKAZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:614.6244
Molecular Formula:C41H27O4P
SMILES:COc1ccc2ccccc2c1-c1c(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc34)o2)ccc2ccccc12
InChI:1S/C41H27O4P/c1-42-34-22-18-26-10-2-6-14-30(26)38(34)39-31-15-7-3-11-27(31)19-23-35(39)43-46-44-36-24-20-28-12-4-8-16-32(28)40(36)41-33-17-9-5-13-29(33)21-25-37(41)45-46/h2-25H,1H3
InChIKey:BTSBFMKYYAOWSV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.669
Molecular Formula:C11H14ClN2P
SMILES:Cl[P@@]1N2CCC[C@H]2CN1c1ccccc1
InChI:1S/C11H14ClN2P/c12-15-13-8-4-7-11(13)9-14(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2/t11-,15+/m0/s1
InChIKey:FEBHKVGIZHAOBC-XHDPSFHLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:504.5586
Molecular Formula:C32H29N2O2P
SMILES:COc1ccc2ccccc2c1-c1c(O[P@@]2N3CCC[C@H]3CN2c2ccccc2)ccc2ccccc12
InChI:1S/C32H29N2O2P/c1-35-29-19-17-23-10-5-7-15-27(23)31(29)32-28-16-8-6-11-24(28)18-20-30(32)36-37-33-21-9-14-26(33)22-34(37)25-12-3-2-4-13-25/h2-8,10-13,15-20,26H,9,14,21-22H2,1H3/t26-,37+/m0/s1
InChIKey:WJGALKUSULZTDJ-KJICVINHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:252.3077
Molecular Formula:C17H16O2
SMILES:CC(=O)OC(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C17H16O2/c1-14(18)19-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-13,17H,1H3/b13-12+
InChIKey:UVJZGFKZGQSKDV-OUKQBFOZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.184
Molecular Formula:C7H7NaO2S
SMILES:[Na+].CC1=CC=C(C=C1)S([O-])=O
InChI:1S/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKey:KFZUDNZQQCWGKF-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:348.458
Molecular Formula:C22H20O2S
SMILES:Cc1ccc(cc1)S(=O)(=O)C(\C=C\c1ccccc1)c1ccccc1
InChI:1S/C22H20O2S/c1-18-12-15-21(16-13-18)25(23,24)22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22H,1H3/b17-14+
InChIKey:AQZHDBHVKNISCQ-SAPNQHFASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:365.89
Molecular Formula:C6H10Cl2Pd2
SMILES:Cl[Pd].Cl[Pd].[CH2][CH][CH2].[CH2][CH][CH2]
InChI:1S/2C3H8.2ClH.2Pd/c2*1-3-2;;;;/h2*3H2,1-2H3;2*1H;;/q;;;;2*+1/p-2
InChIKey:OTBRMLNJALKXGN-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.1146
Molecular Formula:C5H8O4
SMILES:[H]C(C(=O)OC)C(=O)OC
InChI:1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
InChIKey:BEPAFCGSDWSTEL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:324.3704
Molecular Formula:C20H20O4
SMILES:COC(=O)C(C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC
InChI:1S/C20H20O4/c1-23-19(21)18(20(22)24-2)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17-18H,1-2H3/b14-13+
InChIKey:RTUIHIVPYZLWPB-BUHFOSPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.1423
Molecular Formula:C2H3KO2
SMILES:[K+].CC([O-])=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:71.121
Molecular Formula:C4H9N
SMILES:C1CCNC1
InChI:1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChIKey:RWRDLPDLKQPQOW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:263.3767
Molecular Formula:C19H21N
SMILES:C1CCN(C1)C(\C=C\c1ccccc1)c1ccccc1
InChI:1S/C19H21N/c1-3-9-17(10-4-1)13-14-19(20-15-7-8-16-20)18-11-5-2-6-12-18/h1-6,9-14,19H,7-8,15-16H2/b14-13+
InChIKey:XCONIJJQUDHKSN-BUHFOSPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:101.19
Molecular Formula:C6H15N
SMILES:CCCNCCC
InChI:1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
InChIKey:WEHWNAOGRSTTBQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:293.4458
Molecular Formula:C21H27N
SMILES:CCCN(CCC)C(\C=C\c1ccccc1)c1ccccc1
InChI:1S/C21H27N/c1-3-17-22(18-4-2)21(20-13-9-6-10-14-20)16-15-19-11-7-5-8-12-19/h5-16,21H,3-4,17-18H2,1-2H3/b16-15+
InChIKey:UFBLFQWAOWYJRX-FOCLMDBBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:158.1519
Molecular Formula:C7H10O4
SMILES:COC(=O)CC(=C)C(=O)OC
InChI:1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3
InChIKey:ZWWQRMFIZFPUAA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.1678
Molecular Formula:C7H12O4
SMILES:COC(=O)CC(C)C(=O)OC
InChI:1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
InChIKey:NFOQJNGQQXICBY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:406.072
Molecular Formula:C16H24BF4Rh
SMILES:[Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.C1C\C=C/CC\C=C/1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:197.059
Molecular Formula:C7H10Cl2O2
SMILES:CCC1(C(C)C1(Cl)Cl)C(O)=O
InChI:1S/C7H10Cl2O2/c1-3-6(5(10)11)4(2)7(6,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKey:YEVOJQLHVBRLQG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:479.394
Molecular Formula:C28H24Cl2O3
SMILES:CC[C@@]1([C@@H](C)C1(Cl)Cl)C(=O)Oc1ccc2ccccc2c1-c1c(OC)ccc2ccccc12
InChI:1S/C28H24Cl2O3/c1-4-27(17(2)28(27,29)30)26(31)33-23-16-14-19-10-6-8-12-21(19)25(23)24-20-11-7-5-9-18(20)13-15-22(24)32-3/h5-17H,4H2,1-3H3/t17-,27-/m1/s1
InChIKey:NVUOSCZIDKBJSV-XGCWNURASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:479.394
Molecular Formula:C28H24Cl2O3
SMILES:CC[C@]1([C@H](C)C1(Cl)Cl)C(=O)Oc1ccc2ccccc2c1-c1c(OC)ccc2ccccc12
InChI:1S/C28H24Cl2O3/c1-4-27(17(2)28(27,29)30)26(31)33-23-16-14-19-10-6-8-12-21(19)25(23)24-20-11-7-5-9-18(20)13-15-22(24)32-3/h5-17H,4H2,1-3H3/t17-,27-/m0/s1
InChIKey:NVUOSCZIDKBJSV-SOKVYYICSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.647
Molecular Formula:C7H7ClO2S
SMILES:CC1=CC=C(C=C1)S(Cl)(=O)=O
InChI:1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKey:YYROPELSRYBVMQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.1038
Molecular Formula:C4H6N2
SMILES:CN1C=CN=C1
InChI:1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
InChIKey:MCTWTZJPVLRJOU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:41.0519
Molecular Formula:C2H3N
SMILES:CC#N
InChI:1S/C2H3N/c1-2-3/h1H3
InChIKey:WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:334.669
Molecular Formula:C15H18Cl3NO
SMILES:CC[C@]1([C@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1
InChI:1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10+,14+/m1/s1
InChIKey:RXDMAYSSBPYBFW-BFVZDQMLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:929.0016
Molecular Formula:C63H45O6P
SMILES:COc1ccc2ccccc2c1-c1c(OP(Oc2ccc3ccccc3c2-c2c(OC)ccc3ccccc23)Oc2ccc3ccccc3c2-c2c(OC)ccc3ccccc23)ccc2ccccc12
InChI:1S/C63H45O6P/c1-64-52-34-28-40-16-4-10-22-46(40)58(52)61-49-25-13-7-19-43(49)31-37-55(61)67-70(68-56-38-32-44-20-8-14-26-50(44)62(56)59-47-23-11-5-17-41(47)29-35-53(59)65-2)69-57-39-33-45-21-9-15-27-51(45)63(57)60-48-24-12-6-18-42(48)30-36-54(60)66-3/h4-39H,1-3H3
InChIKey:PHLWOTCTRLHSFO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:137.333
Molecular Formula:Cl3P
SMILES:ClP(Cl)Cl
InChI:1S/Cl3P/c1-4(2)3
InChIKey:FAIAAWCVCHQXDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:118.1757
Molecular Formula:C9H10
SMILES:C\C=C\C1=CC=CC=C1
InChI:1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
InChIKey:QROGIFZRVHSFLM-QHHAFSJGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:28.0101
Molecular Formula:CO
SMILES:[C-]#[O+]
InChI:1S/CO/c1-2
InChIKey:UGFAIRIUMAVXCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:148.2017
Molecular Formula:C10H12O
SMILES:[H]C(=O)C(CC)C1=CC=CC=C1
InChI:1S/C10H12O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey:DIBSCKQIZZVKMG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:148.2017
Molecular Formula:C10H12O
SMILES:[H]C(=O)CCCC1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.0336
Molecular Formula:C7H7O4Rh
SMILES:[C-]#[O+].[C-]#[O+].CC(=O)\C=C(\C)O[Rh]
InChI:1S/C5H8O2.2CO.Rh/c1-4(6)3-5(2)7;2*1-2;/h3,6H,1-2H3;;;/q;;;+1/p-1/b4-3-;;;
InChIKey:BZCAWKOPWNIDOC-FGSKAQBVSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:202.1889
Molecular Formula:C12H11OP
SMILES:O=P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C12H11OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKey:ASUOLLHGALPRFK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:468.5248
Molecular Formula:C33H25OP
SMILES:COC1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C33H25OP/c1-34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)35(26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKey:KRWTWSSMURUMDE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.0314
Molecular Formula:C4F6O3
SMILES:FC(F)(F)C(=O)OC(=O)C(F)(F)F
InChI:1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey:QAEDZJGFFMLHHQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:79.0999
Molecular Formula:C5H5N
SMILES:C1=CC=NC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:224.51
Molecular Formula:C4H6O4Pd
SMILES:[Pd++].CC([O-])=O.CC([O-])=O
InChI:1S/2C2H4O2.Pd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:YJVFFLUZDVXJQI-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:578.6183
Molecular Formula:C39H32OP2
SMILES:CC1(C)C2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C2OC2=C1C=CC=C2P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKey:CXNIUSPIQKWYAI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:135.452
Molecular Formula:Cl3HSi
SMILES:[H][Si](Cl)(Cl)Cl
InChI:1S/Cl3HSi/c1-4(2)3/h4H
InChIKey:ZDHXKXAHOVTTAH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:993.083
Molecular Formula:C59H42F6O4S2
SMILES:COc1ccc2ccccc2c1-c1c(OCc2cc(C3=C(c4cc(COc5ccc6ccccc6c5-c5c(OC)ccc6ccccc56)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)ccc2ccccc12
InChI:1S/C59H42F6O4S2/c1-33-45(29-39(70-33)31-68-49-27-23-37-15-7-11-19-43(37)53(49)51-41-17-9-5-13-35(41)21-25-47(51)66-3)55-56(58(62,63)59(64,65)57(55,60)61)46-30-40(71-34(46)2)32-69-50-28-24-38-16-8-12-20-44(38)54(50)52-42-18-10-6-14-36(42)22-26-48(52)67-4/h5-30H,31-32H2,1-4H3
InChIKey:AFHCONMSXDPXHJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:993.083
Molecular Formula:C59H42F6O4S2
SMILES:COc1ccc2ccccc2c1-c1c(OCC2=CC3=C4C(=C5C=C(COc6ccc7ccccc7c6-c6c(OC)ccc7ccccc67)SC5(C)C3(C)S2)C(F)(F)C(F)(F)C4(F)F)ccc2ccccc12
InChI:1S/C59H42F6O4S2/c1-55-43(29-37(70-55)31-68-47-27-23-35-15-7-11-19-41(35)51(47)49-39-17-9-5-13-33(39)21-25-45(49)66-3)53-54(58(62,63)59(64,65)57(53,60)61)44-30-38(71-56(44,55)2)32-69-48-28-24-36-16-8-12-20-42(36)52(48)50-40-18-10-6-14-34(40)22-26-46(50)67-4/h5-30H,31-32H2,1-4H3
InChIKey:SIIZTARCBROVSO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1021.136
Molecular Formula:C61H46F6O4S2
SMILES:CCOc1ccc2ccccc2c1-c1c(OCc2cc(C3=C(c4cc(COc5ccc6ccccc6c5-c5c(OCC)ccc6ccccc56)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)ccc2ccccc12
InChI:1S/C61H46F6O4S2/c1-5-68-49-27-23-37-15-7-11-19-43(37)53(49)55-45-21-13-9-17-39(45)25-29-51(55)70-33-41-31-47(35(3)72-41)57-58(60(64,65)61(66,67)59(57,62)63)48-32-42(73-36(48)4)34-71-52-30-26-40-18-10-14-22-46(40)56(52)54-44-20-12-8-16-38(44)24-28-50(54)69-6-2/h7-32H,5-6,33-34H2,1-4H3
InChIKey:KCDZLQLNAFKOOD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1021.136
Molecular Formula:C61H46F6O4S2
SMILES:CCOc1ccc2ccccc2c1-c1c(OCC2=CC3=C4C(=C5C=C(COc6ccc7ccccc7c6-c6c(OCC)ccc7ccccc67)SC5(C)C3(C)S2)C(F)(F)C(F)(F)C4(F)F)ccc2ccccc12
InChI:1S/C61H46F6O4S2/c1-5-68-47-27-23-35-15-7-11-19-41(35)51(47)53-43-21-13-9-17-37(43)25-29-49(53)70-33-39-31-45-55-56(60(64,65)61(66,67)59(55,62)63)46-32-40(73-58(46,4)57(45,3)72-39)34-71-50-30-26-38-18-10-14-22-44(38)54(50)52-42-20-12-8-16-36(42)24-28-48(52)69-6-2/h7-32H,5-6,33-34H2,1-4H3
InChIKey:GELPBGRQWLFYLJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1049.189
Molecular Formula:C63H50F6O4S2
SMILES:CCCOc1ccc2ccccc2c1-c1c(OCc2cc(C3=C(c4cc(COc5ccc6ccccc6c5-c5c(OCCC)ccc6ccccc56)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)ccc2ccccc12
InChI:1S/C63H50F6O4S2/c1-5-31-70-51-27-23-39-15-7-11-19-45(39)55(51)57-47-21-13-9-17-41(47)25-29-53(57)72-35-43-33-49(37(3)74-43)59-60(62(66,67)63(68,69)61(59,64)65)50-34-44(75-38(50)4)36-73-54-30-26-42-18-10-14-22-48(42)58(54)56-46-20-12-8-16-40(46)24-28-52(56)71-32-6-2/h7-30,33-34H,5-6,31-32,35-36H2,1-4H3
InChIKey:SZWXVAKPQJRREN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1049.189
Molecular Formula:C63H50F6O4S2
SMILES:CCCOc1ccc2ccccc2c1-c1c(OCC2=CC3=C4C(=C5C=C(COc6ccc7ccccc7c6-c6c(OCCC)ccc7ccccc67)SC5(C)C3(C)S2)C(F)(F)C(F)(F)C4(F)F)ccc2ccccc12
InChI:1S/C63H50F6O4S2/c1-5-31-70-49-27-23-37-15-7-11-19-43(37)53(49)55-45-21-13-9-17-39(45)25-29-51(55)72-35-41-33-47-57-58(62(66,67)63(68,69)61(57,64)65)48-34-42(75-60(48,4)59(47,3)74-41)36-73-52-30-26-40-18-10-14-22-46(40)56(52)54-44-20-12-8-16-38(44)24-28-50(54)71-32-6-2/h7-30,33-34H,5-6,31-32,35-36H2,1-4H3
InChIKey:FJXVMYYRKCXJJA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1077.242
Molecular Formula:C65H54F6O4S2
SMILES:CCCCOc1ccc2ccccc2c1-c1c(OCc2cc(C3=C(c4cc(COc5ccc6ccccc6c5-c5c(OCCCC)ccc6ccccc56)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)ccc2ccccc12
InChI:1S/C65H54F6O4S2/c1-5-7-33-72-53-29-25-41-17-9-13-21-47(41)57(53)59-49-23-15-11-19-43(49)27-31-55(59)74-37-45-35-51(39(3)76-45)61-62(64(68,69)65(70,71)63(61,66)67)52-36-46(77-40(52)4)38-75-56-32-28-44-20-12-16-24-50(44)60(56)58-48-22-14-10-18-42(48)26-30-54(58)73-34-8-6-2/h9-32,35-36H,5-8,33-34,37-38H2,1-4H3
InChIKey:NGXFCZYJIMCDTH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1077.242
Molecular Formula:C65H54F6O4S2
SMILES:CCCCOc1ccc2ccccc2c1-c1c(OCC2=CC3=C4C(=C5C=C(COc6ccc7ccccc7c6-c6c(OCCCC)ccc7ccccc67)SC5(C)C3(C)S2)C(F)(F)C(F)(F)C4(F)F)ccc2ccccc12
InChI:1S/C65H54F6O4S2/c1-5-7-33-72-51-29-25-39-17-9-13-21-45(39)55(51)57-47-23-15-11-19-41(47)27-31-53(57)74-37-43-35-49-59-60(64(68,69)65(70,71)63(59,66)67)50-36-44(77-62(50,4)61(49,3)76-43)38-75-54-32-28-42-20-12-16-24-48(42)58(54)56-46-22-14-10-18-40(46)26-30-52(56)73-34-8-6-2/h9-32,35-36H,5-8,33-34,37-38H2,1-4H3
InChIKey:VMTCJFTWEAMOMN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1105.295
Molecular Formula:C67H58F6O4S2
SMILES:CCCCCOc1ccc2ccccc2c1-c1c(OCc2cc(C3=C(c4cc(COc5ccc6ccccc6c5-c5c(OCCCCC)ccc6ccccc56)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)ccc2ccccc12
InChI:1S/C67H58F6O4S2/c1-5-7-17-35-74-55-31-27-43-19-9-13-23-49(43)59(55)61-51-25-15-11-21-45(51)29-33-57(61)76-39-47-37-53(41(3)78-47)63-64(66(70,71)67(72,73)65(63,68)69)54-38-48(79-42(54)4)40-77-58-34-30-46-22-12-16-26-52(46)62(58)60-50-24-14-10-20-44(50)28-32-56(60)75-36-18-8-6-2/h9-16,19-34,37-38H,5-8,17-18,35-36,39-40H2,1-4H3
InChIKey:OQTWAONQQXSFIA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1105.295
Molecular Formula:C67H58F6O4S2
SMILES:CCCCCOc1ccc2ccccc2c1-c1c(OCC2=CC3=C4C(=C5C=C(COc6ccc7ccccc7c6-c6c(OCCCCC)ccc7ccccc67)SC5(C)C3(C)S2)C(F)(F)C(F)(F)C4(F)F)ccc2ccccc12
InChI:1S/C67H58F6O4S2/c1-5-7-17-35-74-53-31-27-41-19-9-13-23-47(41)57(53)59-49-25-15-11-21-43(49)29-33-55(59)76-39-45-37-51-61-62(66(70,71)67(72,73)65(61,68)69)52-38-46(79-64(52,4)63(51,3)78-45)40-77-56-34-30-44-22-12-16-26-50(44)60(56)58-48-24-14-10-20-42(48)28-32-54(58)75-36-18-8-6-2/h9-16,19-34,37-38H,5-8,17-18,35-36,39-40H2,1-4H3
InChIKey:VOAMLDHIFQUKFZ-UHFFFAOYSA-N
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