2,2-dimethyl-3-(2-methylphenyl)sulfanyl-propanoate

Systemtic Name: 2,2-dimethyl-3-(2-methylphenyl)sulfanyl-propanoate Openeye Name: 2,2-dimethyl-3-(o-tolylsulfanyl)propanoate CAS Name: 2,2-dimethyl-3-[(2-methylphenyl)thio]propanoate IUPAC Name: 2,2-dimethyl-3-(2-methylphenyl)sulfanylpropanoate Traditional Name: 2,2-dimethyl-3-(o-tolylthio)propionate Formula: C12H15O2S- MolecularWeight: 223.3113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(C)(C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCC(C)(C)C(=O)[O-]

InChI

InChI=1S/C12H16O2S/c1-9-6-4-5-7-10(9)15-8-12(2,3)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)/p-1