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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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