4-oxidanylidene-4-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(phenylmethylsulfanyl)butanoic acid Openeye Name: 4-benzylsulfanyl-4-oxo-butanoic acid CAS Name: 4-oxo-4-(phenylmethylthio)butanoic acid IUPAC Name: 4-benzylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(benzylthio)-4-keto-butyric acid Formula: C11H12O3S MolecularWeight: 224.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)CCC(=O)O

InChI

InChI=1S/C11H12O3S/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)