5-(phenylmethylsulfanyl)pentanoate

Systemtic Name: 5-(phenylmethylsulfanyl)pentanoate Openeye Name: 5-benzylsulfanylpentanoate CAS Name: 5-(phenylmethylthio)pentanoate IUPAC Name: 5-benzylsulfanylpentanoate Traditional Name: 5-(benzylthio)valerate Formula: C12H15O2S- MolecularWeight: 223.3113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCC(=O)[O-]

InChI

InChI=1S/C12H16O2S/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)/p-1