[4-(2-phenyl-1-sulfanyl-ethyl)phenyl] benzoate

Systemtic Name: [4-(2-phenyl-1-sulfanyl-ethyl)phenyl] benzoate Openeye Name: [4-(2-phenyl-1-sulfanyl-ethyl)phenyl] benzoate CAS Name: benzoic acid [4-(1-mercapto-2-phenylethyl)phenyl] ester IUPAC Name: [4-(2-phenyl-1-sulfanylethyl)phenyl] benzoate Traditional Name: benzoic acid [4-(1-mercapto-2-phenyl-ethyl)phenyl] ester Formula: C21H18O2S MolecularWeight: 334.43142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)S

InChI

InChI=1S/C21H18O2S/c22-21(18-9-5-2-6-10-18)23-19-13-11-17(12-14-19)20(24)15-16-7-3-1-4-8-16/h1-14,20,24H,15H2