2-[[4-(4-chlorophenyl)phenyl]-oxidanyl-methyl]-5-phenylsulfanyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]-oxidanyl-methyl]-5-phenylsulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxy-methyl]-5-phenylsulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxymethyl]-5-(phenylthio)-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxymethyl]-5-phenylsulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxy-methyl]-5-(phenylthio)cyclopentanecarboxylic acid Formula: C25H23ClO3S MolecularWeight: 438.96632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O)C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

C1CC(C(C1C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O)C(=O)O)SC4=CC=CC=C4

InChI

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