3-oxidanyl-2-phenylsulfanyl-pentanoic acid

Systemtic Name: 3-oxidanyl-2-phenylsulfanyl-pentanoic acid Openeye Name: 3-hydroxy-2-phenylsulfanyl-pentanoic acid CAS Name: 3-hydroxy-2-(phenylthio)pentanoic acid IUPAC Name: 3-hydroxy-2-phenylsulfanylpentanoic acid Traditional Name: 3-hydroxy-2-(phenylthio)valeric acid Formula: C11H14O3S MolecularWeight: 226.29206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)O)SC1=CC=CC=C1)O

Isomeric SMILES

CCC(C(C(=O)O)SC1=CC=CC=C1)O

InChI

InChI=1S/C11H14O3S/c1-2-9(12)10(11(13)14)15-8-6-4-3-5-7-8/h3-7,9-10,12H,2H2,1H3,(H,13,14)