4-oxidanylidene-2-(phenylmethyl)-4-(2-sulfanylphenyl)butanoic acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethyl)-4-(2-sulfanylphenyl)butanoic acid Openeye Name: 2-benzyl-4-oxo-4-(2-sulfanylphenyl)butanoic acid CAS Name: 4-(2-mercaptophenyl)-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-oxo-4-(2-sulfanylphenyl)butanoic acid Traditional Name: 2-benzyl-4-keto-4-(2-mercaptophenyl)butyric acid Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C2=CC=CC=C2S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C2=CC=CC=C2S)C(=O)O

InChI

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