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

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]-oxidanyl-methyl]-5-(2-methoxycarbonylphenyl)sulfanyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxy-methyl]-5-(2-methoxycarbonylphenyl)sulfanyl-cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxymethyl]-5-[(2-methoxycarbonylphenyl)thio]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]-hydroxymethyl]-5-(2-methoxycarbonylphenyl)sulfanylcyclopentane-1-carboxylic acid Traditional Name: 2-[(2-carbomethoxyphenyl)thio]-5-[[4-(4-chlorophenyl)phenyl]-hydroxy-methyl]cyclopentanecarboxylic acid Formula: C27H25ClO5S MolecularWeight: 497.0024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2CCC(C2C(=O)O)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2CCC(C2C(=O)O)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H25ClO5S/c1-33-27(32)20-4-2-3-5-22(20)34-23-15-14-21(24(23)26(30)31)25(29)18-8-6-16(7-9-18)17-10-12-19(28)13-11-17/h2-13,21,23-25,29H,14-15H2,1H3,(H,30,31)