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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2CCCC2(C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2CCCC2(C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

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