1-[[4-(4-chlorophenyl)phenyl]-oxidanyl-methyl]-2-phenylsulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[4-(4-chlorophenyl)phenyl]-oxidanyl-methyl]-2-phenylsulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 1-[[4-(4-chlorophenyl)phenyl]-hydroxy-methyl]-2-phenylsulfanyl-cyclopentanecarboxylic acid CAS Name: 1-[[4-(4-chlorophenyl)phenyl]-hydroxymethyl]-2-(phenylthio)-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[4-(4-chlorophenyl)phenyl]-hydroxymethyl]-2-phenylsulfanylcyclopentane-1-carboxylic acid Traditional Name: 1-[[4-(4-chlorophenyl)phenyl]-hydroxy-methyl]-2-(phenylthio)cyclopentanecarboxylic acid Formula: C25H23ClO3S MolecularWeight: 438.96632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

C1CC(C(C1)(C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O)C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C25H23ClO3S/c26-20-14-12-18(13-15-20)17-8-10-19(11-9-17)23(27)25(24(28)29)16-4-7-22(25)30-21-5-2-1-3-6-21/h1-3,5-6,8-15,22-23,27H,4,7,16H2,(H,28,29)