3-[(4-chlorophenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid Formula: C14H11ClO2S MolecularWeight: 278.75394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H11ClO2S/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H,16,17)