4-oxidanylidene-4-[3-(phenylmethylsulfanyl)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[3-(phenylmethylsulfanyl)phenyl]butanoic acid Openeye Name: 4-(3-benzylsulfanylphenyl)-4-oxo-butanoic acid CAS Name: 4-oxo-4-[3-(phenylmethylthio)phenyl]butanoic acid IUPAC Name: 4-(3-benzylsulfanylphenyl)-4-oxobutanoic acid Traditional Name: 4-[3-(benzylthio)phenyl]-4-keto-butyric acid Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3S/c18-16(9-10-17(19)20)14-7-4-8-15(11-14)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)