3-phenylsulfanylpropanoic acid

Systemtic Name: 3-phenylsulfanylpropanoic acid Openeye Name: 3-phenylsulfanylpropanoic acid CAS Name: 3-(phenylthio)propanoic acid IUPAC Name: 3-phenylsulfanylpropanoic acid Traditional Name: 3-(phenylthio)propionic acid Formula: C9H10O2S MolecularWeight: 182.2395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)O

InChI

InChI=1S/C9H10O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)