3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanylpropanoic acid CAS Name: 3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanylpropanoic acid Traditional Name: 3-(benzylthio)propionic acid Formula: C10H12O2S MolecularWeight: 196.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)O

InChI

InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)