4-oxidanylidene-5-phenylsulfanyl-pentanoic acid

Systemtic Name: 4-oxidanylidene-5-phenylsulfanyl-pentanoic acid Openeye Name: 4-oxo-5-phenylsulfanyl-pentanoic acid CAS Name: 4-oxo-5-(phenylthio)pentanoic acid IUPAC Name: 4-oxo-5-phenylsulfanylpentanoic acid Traditional Name: 4-keto-5-(phenylthio)valeric acid Formula: C11H12O3S MolecularWeight: 224.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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