3-[(3-chlorophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]benzoic acid CAS Name: 3-[(3-chlorophenyl)methylthio]benzoic acid IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-[(3-chlorobenzyl)thio]benzoic acid Formula: C14H11ClO2S MolecularWeight: 278.75394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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