Standard Article

(−)(1S)-1-Phenylethyl Hydroperoxide and (+)(1R)-1-Phenylethyl Hydroperoxide

  1. Amol A. Kulkarni

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01610

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Kulkarni, A. A. 2013. (−)(1S)-1-Phenylethyl Hydroperoxide and (+)(1R)-1-Phenylethyl Hydroperoxide. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. Howard University, Washington, DC, USA

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 86
Compound Information
Drug synonym:dl‐1‐phenylethanol, Î±â€methylbenzyl alcohol
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:CC(O)C1=CC=CC=C1
InChI:1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey:WAPNOHKVXSQRPX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.1638
Molecular Formula:C8H10O2
SMILES:CC(OO)C1=CC=CC=C1
InChI:1S/C8H10O2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey:GQNOPVSQPBUJKQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.165
Molecular Formula:C8H10
SMILES:CCC1=CC=CC=C1
InChI:1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey:YNQLUTRBYVCPMQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.1638
Molecular Formula:C8H10O2
SMILES:[H][C@@](C)(OO)C1=CC=CC=C1
InChI:1S/C8H10O2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKey:GQNOPVSQPBUJKQ-ZETCQYMHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:C[C@@H](O)C1=CC=CC=C1
InChI:1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChIKey:WAPNOHKVXSQRPX-SSDOTTSWSA-N
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Compound Information
Drug synonym:guaiacol
Molecular Weight:124.1372
Molecular Formula:C7H8O2
SMILES:COC1=CC=CC=C1O
InChI:1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey:LHGVFZTZFXWLCP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:214.3028
Molecular Formula:C15H18O
SMILES:CC(C)(C)\C=C1/CCc2ccccc2C1=O
InChI:1S/C15H18O/c1-15(2,3)10-12-9-8-11-6-4-5-7-13(11)14(12)16/h4-7,10H,8-9H2,1-3H3/b12-10+
InChIKey:ZXDHXGHBOCFERH-ZRDIBKRKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3022
Molecular Formula:C15H18O2
SMILES:CC(C)(C)[C@@H]1O[C@]11CCc2ccccc2C1=O
InChI:1S/C15H18O2/c1-14(2,3)13-15(17-13)9-8-10-6-4-5-7-11(10)12(15)16/h4-7,13H,8-9H2,1-3H3/t13-,15-/m0/s1
InChIKey:NDWCGNVPEJEYCD-ZFWWWQNUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:230.3022
Molecular Formula:C15H18O2
SMILES:CC(C)(C)[C@H]1O[C@@]11CCc2ccccc2C1=O
InChI:1S/C15H18O2/c1-14(2,3)13-15(17-13)9-8-10-6-4-5-7-11(10)12(15)16/h4-7,13H,8-9H2,1-3H3/t13-,15-/m1/s1
InChIKey:NDWCGNVPEJEYCD-UKRRQHHQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:56.1056
Molecular Formula:HKO
SMILES:[K+].[O-][H]
InChI:1S/K.H2O/h;1H2/q+1;/p-1
InChIKey:KWYUFKZDYYNOTN-UHFFFAOYSA-M
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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:208.2552
Molecular Formula:C15H12O
SMILES:O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey:DQFBYFPFKXHELB-VAWYXSNFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:224.2546
Molecular Formula:C15H12O2
SMILES:O=C([C@@H]1O[C@H]1C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H/t14-,15-/m0/s1
InChIKey:UQGMJZQVDNZRKT-GJZGRUSLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:224.2546
Molecular Formula:C15H12O2
SMILES:[H][C@@]1(O[C@]1([H])C1=CC=CC=C1)C(=O)C1=CC=CC=C1
InChI:1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H/t14-,15-/m1/s1
InChIKey:UQGMJZQVDNZRKT-HUUCEWRRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2367
Molecular Formula:C9H16N2
SMILES:C1CN=C2CCCCCN2C1
InChI:1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
InChIKey:GQHTUMJGOHRCHB-UHFFFAOYSA-N
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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:134.1751
Molecular Formula:C9H10O
SMILES:OC\C=C\C1=CC=CC=C1
InChI:1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChIKey:OOCCDEMITAIZTP-QPJJXVBHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:[H][C@]1(CO)O[C@]1([H])C1=CC=CC=C1
InChI:1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9-/m1/s1
InChIKey:PVALSANGMFRTQM-RKDXNWHRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:OC[C@@H]1O[C@H]1C1=CC=CC=C1
InChI:1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9-/m0/s1
InChIKey:PVALSANGMFRTQM-IUCAKERBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.2021
Molecular Formula:C9H21O4V
SMILES:CC(C)O[V](=O)(OC(C)C)OC(C)C
InChI:1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+3
InChIKey:DSGGJXAUQHKOGQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:436.4587
Molecular Formula:C27H20N2O4
SMILES:ON(C(c1ccccc1)c1ccccc1)C(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
InChI:1S/C27H20N2O4/c30-23(29(33)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20)17-28-26(31)21-15-7-13-18-14-8-16-22(24(18)21)27(28)32/h1-16,25,33H,17H2
InChIKey:MQHQBOAJQNSUBN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.229
Molecular Formula:C8H10OS
SMILES:CC1=CC=C(C=C1)S(C)=O
InChI:1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3
InChIKey:FEVALTJSQBFLEU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.229
Molecular Formula:C8H10OS
SMILES:CC1=CC=C(C=C1)[S@](C)=O
InChI:1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3/t10-/m0/s1
InChIKey:FEVALTJSQBFLEU-JTQLQIEISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.229
Molecular Formula:C8H10OS
SMILES:CC1=CC=C(C=C1)[S@@](C)=O
InChI:1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3/t10-/m1/s1
InChIKey:FEVALTJSQBFLEU-SNVBAGLBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.229
Molecular Formula:C8H10O2S
SMILES:CC1=CC=C(C=C1)S(C)(=O)=O
InChI:1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChIKey:YYDNBUBMBZRNQQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:284.215
Molecular Formula:C12H28O4Ti
SMILES:CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
InChI:1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKey:VXUYXOFXAQZZMF-UHFFFAOYSA-N
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Compound Information
Drug synonym:carbon tetrachloride, Carbona, pyrene
Molecular Weight:153.823
Molecular Formula:CCl4
SMILES:ClC(Cl)(Cl)Cl
InChI:1S/CCl4/c2-1(3,4)5
InChIKey:VZGDMQKNWNREIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:430.0392
Molecular Formula:C10H5F6IO4
SMILES:FC(F)(F)C(=O)O[I](OC(=O)C(F)(F)F)C1=CC=CC=C1
InChI:1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H
InChIKey:PEZNEXFPRSOYPL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:C[C@H](O)C1=CC=CC=C1
InChI:1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKey:WAPNOHKVXSQRPX-ZETCQYMHSA-N
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Compound Information
Drug synonym:1‐Phenylethanone, phenyl methyl ketone
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:31.9988
Molecular Formula:O2
SMILES:[O][O]
InChI:1S/H2O2/c1-2/h1-2H
InChIKey:MHAJPDPJQMAIIY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:86.1323
Molecular Formula:C5H10O
SMILES:CC(C)=CCO
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.1317
Molecular Formula:C5H10O2
SMILES:[H]C1(CO)OC1(C)C
InChI:1S/C5H10O2/c1-5(2)4(3-6)7-5/h4,6H,3H2,1-2H3
InChIKey:HJXAWVLTVYGIBH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:206.1932
Molecular Formula:C8H14O6
SMILES:CCOC(=O)C(O)(CO)C(=O)OCC
InChI:1S/C8H14O6/c1-3-13-6(10)8(12,5-9)7(11)14-4-2/h9,12H,3-5H2,1-2H3
InChIKey:MEBSSWGCHWMCKY-UHFFFAOYSA-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:140.2227
Molecular Formula:C9H16O
SMILES:CC(C)=CC\C(C)=C\CO
InChI:1S/C9H16O/c1-8(2)4-5-9(3)6-7-10/h4,6,10H,5,7H2,1-3H3/b9-6+
InChIKey:BHMQPIJXSKLQKE-RMKNXTFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.2221
Molecular Formula:C9H16O2
SMILES:CC(C)=CCC1(C)OC1CO
InChI:1S/C9H16O2/c1-7(2)4-5-9(3)8(6-10)11-9/h4,8,10H,5-6H2,1-3H3
InChIKey:XCAGIGSRDNABAH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:[H]C1(CO)OC1([H])C1=CC=CC=C1
InChI:1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey:PVALSANGMFRTQM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.2711
Molecular Formula:C15H14O
SMILES:OCC=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C15H14O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKey:VDZJHCQPPWSRFX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:226.2705
Molecular Formula:C15H14O2
SMILES:OCC1OC1(c1ccccc1)c1ccccc1
InChI:1S/C15H14O2/c16-11-14-15(17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKey:KFUJDJACONISEU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:148.2017
Molecular Formula:C10H12O
SMILES:C\C(CO)=C/C1=CC=CC=C1
InChI:1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+
InChIKey:LLNAMUJRIZIXHF-VQHVLOKHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.2011
Molecular Formula:C10H12O2
SMILES:[H]C1(OC1(C)CO)C1=CC=CC=C1
InChI:1S/C10H12O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKey:ZXCJUHWLCBNLOX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:146.1858
Molecular Formula:C10H10O
SMILES:C\C=C\C(=O)C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1852
Molecular Formula:C10H10O2
SMILES:C[C@H]1O[C@@H]1C(=O)c1ccccc1
InChI:1S/C10H10O2/c1-7-10(12-7)9(11)8-5-3-2-4-6-8/h2-7,10H,1H3/t7-,10+/m1/s1
InChIKey:PJQWDBYGSUMUBT-XCBNKYQSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1852
Molecular Formula:C10H10O2
SMILES:C[C@@H]1O[C@H]1C(=O)c1ccccc1
InChI:1S/C10H10O2/c1-7-10(12-7)9(11)8-5-3-2-4-6-8/h2-7,10H,1H3/t7-,10+/m0/s1
InChIKey:PJQWDBYGSUMUBT-OIBJUYFYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:222.2818
Molecular Formula:C16H14O
SMILES:CC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1
InChI:1S/C16H14O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey:SSXZWAYXQSKEMV-FMIVXFBMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.2812
Molecular Formula:C16H14O2
SMILES:Cc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1
InChI:1S/C16H14O2/c1-11-7-9-12(10-8-11)14(17)16-15(18-16)13-5-3-2-4-6-13/h2-10,15-16H,1H3/t15-,16-/m1/s1
InChIKey:XMLFNFVRQZKLTI-HZPDHXFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.2812
Molecular Formula:C16H14O2
SMILES:Cc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChI:1S/C16H14O2/c1-11-7-9-12(10-8-11)14(17)16-15(18-16)13-5-3-2-4-6-13/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChIKey:XMLFNFVRQZKLTI-HOTGVXAUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.2812
Molecular Formula:C16H14O2
SMILES:COC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1
InChI:1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
InChIKey:KJHHAPASNNVTSN-KPKJPENVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:254.2806
Molecular Formula:C16H14O3
SMILES:COC1=CC=C(C=C1)C(=O)[C@H]1O[C@@H]1C1=CC=CC=C1
InChI:1S/C16H14O3/c1-18-13-9-7-11(8-10-13)14(17)16-15(19-16)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m1/s1
InChIKey:GAMOPGGZIQWBEM-HZPDHXFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:254.2806
Molecular Formula:C16H14O3
SMILES:COC1=CC=C(C=C1)C(=O)[C@@H]1O[C@H]1C1=CC=CC=C1
InChI:1S/C16H14O3/c1-18-13-9-7-11(8-10-13)14(17)16-15(19-16)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m0/s1
InChIKey:GAMOPGGZIQWBEM-HOTGVXAUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:287.151
Molecular Formula:C15H11BrO
SMILES:BrC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1
InChI:1S/C15H11BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey:QMHDTKUBDZUMNH-IZZDOVSWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:303.151
Molecular Formula:C15H11BrO2
SMILES:BrC1=CC=C(C=C1)C(=O)[C@H]1O[C@@H]1C1=CC=CC=C1
InChI:1S/C15H11BrO2/c16-12-8-6-10(7-9-12)13(17)15-14(18-15)11-4-2-1-3-5-11/h1-9,14-15H/t14-,15-/m1/s1
InChIKey:JNLVEYCRYFQKCW-HUUCEWRRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:303.151
Molecular Formula:C15H11BrO2
SMILES:BrC1=CC=C(C=C1)C(=O)[C@@H]1O[C@H]1C1=CC=CC=C1
InChI:1S/C15H11BrO2/c16-12-8-6-10(7-9-12)13(17)15-14(18-15)11-4-2-1-3-5-11/h1-9,14-15H/t14-,15-/m0/s1
InChIKey:JNLVEYCRYFQKCW-GJZGRUSLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:124.1803
Molecular Formula:C8H12O
SMILES:O=C1C[C@@H]2CCCC[C@H]12
InChI:1S/C8H12O/c9-8-5-6-3-1-2-4-7(6)8/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKey:SUIWRIPFUAFDJP-BQBZGAKWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:[H][C@@]12CC(=O)O[C@]1([H])CCCC2
InChI:1S/C8H12O2/c9-8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKey:AQKZNTBBGPQPBG-RNFRBKRXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:[H][C@]12CC(=O)O[C@@]1([H])CCCC2
InChI:1S/C8H12O2/c9-8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKey:AQKZNTBBGPQPBG-BQBZGAKWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:[H][C@:5]12[CH2:7][O:8][C:9](=[O:10])[C@@:4]1([H])[CH2:3][CH2:2][CH2:1][CH2:6]2
InChI:1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKey:WLYUMBPDHPMKHM-BQBZGAKWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:O=C1OC[C@H]2CCCC[C@@H]12
InChI:1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKey:WLYUMBPDHPMKHM-RNFRBKRXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.504
Molecular Formula:C2H6AlCl
SMILES:C[Al](C)Cl
InChI:1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1
InChIKey:JGHYBJVUQGTEEB-UHFFFAOYSA-M
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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:138.23
Molecular Formula:C8H10S
SMILES:CSC1=CC=C(C)C=C1
InChI:1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey:VHILIAIEEYLJNA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.283
Molecular Formula:C10H14S
SMILES:CC(C)SC1=CC=C(C)C=C1
InChI:1S/C10H14S/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey:LXDBBXHXMUZFBP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.283
Molecular Formula:C10H14OS
SMILES:CC(C)[S@](=O)C1=CC=C(C)C=C1
InChI:1S/C10H14OS/c1-8(2)12(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3/t12-/m0/s1
InChIKey:WNXVEFMOQSAQJV-LBPRGKRZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.283
Molecular Formula:C10H14OS
SMILES:CC(C)[S@@](=O)C1=CC=C(C)C=C1
InChI:1S/C10H14OS/c1-8(2)12(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3/t12-/m1/s1
InChIKey:WNXVEFMOQSAQJV-GFCCVEGCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:198.282
Molecular Formula:C10H14O2S
SMILES:CC(C)S(=O)(=O)c1ccc(C)cc1
InChI:1S/C10H14O2S/c1-8(2)13(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey:DUJYZGXBCPOPDD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.31
Molecular Formula:C11H16S
SMILES:CCCCSC1=CC=C(C)C=C1
InChI:1S/C11H16S/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey:FUYIIAJEXUJNFA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.309
Molecular Formula:C11H16OS
SMILES:CCCC[S@](=O)C1=CC=C(C)C=C1
InChI:1S/C11H16OS/c1-3-4-9-13(12)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3/t13-/m0/s1
InChIKey:XSEXASPEOVXVNV-ZDUSSCGKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.309
Molecular Formula:C11H16OS
SMILES:CCCC[S@@](=O)C1=CC=C(C)C=C1
InChI:1S/C11H16OS/c1-3-4-9-13(12)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3/t13-/m1/s1
InChIKey:XSEXASPEOVXVNV-CYBMUJFWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.309
Molecular Formula:C11H16O2S
SMILES:CCCCS(=O)(=O)C1=CC=C(C)C=C1
InChI:1S/C11H16O2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey:GQNSNCZNXFDRRL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.229
Molecular Formula:C8H10OS
SMILES:COC1=CC=C(SC)C=C1
InChI:1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
InChIKey:DQNSKXYRRRCKGH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.229
Molecular Formula:C8H10O2S
SMILES:COC1=CC=C(C=C1)[S@](C)=O
InChI:1S/C8H10O2S/c1-10-7-3-5-8(6-4-7)11(2)9/h3-6H,1-2H3/t11-/m0/s1
InChIKey:XSFFUNMJITWEEA-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.229
Molecular Formula:C8H10O2S
SMILES:COC1=CC=C(C=C1)[S@@](C)=O
InChI:1S/C8H10O2S/c1-10-7-3-5-8(6-4-7)11(2)9/h3-6H,1-2H3/t11-/m1/s1
InChIKey:XSFFUNMJITWEEA-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:186.228
Molecular Formula:C8H10O3S
SMILES:COC1=CC=C(C=C1)S(C)(=O)=O
InChI:1S/C8H10O3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H3
InChIKey:KAZUCVUGWMQGMC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:169.201
Molecular Formula:C7H7NO2S
SMILES:CSC1=CC=C(C=C1)[N+]([O-])=O
InChI:1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKey:NEZGPRYOJVPJKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.2
Molecular Formula:C7H7NO3S
SMILES:C[S@](=O)C1=CC=C(C=C1)[N+]([O-])=O
InChI:1S/C7H7NO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3/t12-/m0/s1
InChIKey:MLTFFVSGGPGNSP-LBPRGKRZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.2
Molecular Formula:C7H7NO3S
SMILES:C[S@@](=O)C1=CC=C(C=C1)[N+]([O-])=O
InChI:1S/C7H7NO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3/t12-/m1/s1
InChIKey:MLTFFVSGGPGNSP-GFCCVEGCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:201.2
Molecular Formula:C7H7NO4S
SMILES:CS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
InChI:1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKey:XONGBDXIFQIQBN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.262
Molecular Formula:C11H10S
SMILES:CSC1=CC2=CC=CC=C2C=C1
InChI:1S/C11H10S/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey:SSKUUDUKJMIOKQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.262
Molecular Formula:C11H10OS
SMILES:C[S@](=O)C1=CC2=CC=CC=C2C=C1
InChI:1S/C11H10OS/c1-13(12)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/t13-/m0/s1
InChIKey:VBRDXOMJHRAPSU-ZDUSSCGKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.262
Molecular Formula:C11H10OS
SMILES:C[S@@](=O)C1=CC2=CC=CC=C2C=C1
InChI:1S/C11H10OS/c1-13(12)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/t13-/m1/s1
InChIKey:VBRDXOMJHRAPSU-CYBMUJFWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:206.261
Molecular Formula:C11H10O2S
SMILES:CS(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChI:1S/C11H10O2S/c1-14(12,13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey:BNRKPIUZQHYIAL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.32
Molecular Formula:C9H20S
SMILES:CCCCCCCCSC
InChI:1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
InChIKey:AHCJTMBRROLNHV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.32
Molecular Formula:C9H20OS
SMILES:CCCCCCCC[S@](C)=O
InChI:1S/C9H20OS/c1-3-4-5-6-7-8-9-11(2)10/h3-9H2,1-2H3/t11-/m0/s1
InChIKey:PVVATGNFHKTPTA-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.32
Molecular Formula:C9H20OS
SMILES:CCCCCCCC[S@@](C)=O
InChI:1S/C9H20OS/c1-3-4-5-6-7-8-9-11(2)10/h3-9H2,1-2H3/t11-/m1/s1
InChIKey:PVVATGNFHKTPTA-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:192.319
Molecular Formula:C9H20O2S
SMILES:CCCCCCCCS(C)(=O)=O
InChI:1S/C9H20O2S/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3
InChIKey:KCFYSLQCXGEOHC-UHFFFAOYSA-N
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