3,3-dimethyl-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3,3-dimethyl-4-phenylsulfanyl-butanoic acid Openeye Name: 3,3-dimethyl-4-phenylsulfanyl-butanoic acid CAS Name: 3,3-dimethyl-4-(phenylthio)butanoic acid IUPAC Name: 3,3-dimethyl-4-phenylsulfanylbutanoic acid Traditional Name: 3,3-dimethyl-4-(phenylthio)butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)(CC(=O)O)CSC1=CC=CC=C1

InChI

InChI=1S/C12H16O2S/c1-12(2,8-11(13)14)9-15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)