(2S)-2-(2,5-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (2S)-2-(2,5-dimethylphenyl)sulfanylpropanoate Openeye Name: (2S)-2-(2,5-dimethylphenyl)sulfanylpropanoate CAS Name: (2S)-2-[(2,5-dimethylphenyl)thio]propanoate IUPAC Name: (2S)-2-(2,5-dimethylphenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(2,5-dimethylphenyl)thio]propionate Formula: C11H13O2S- MolecularWeight: 209.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C11H14O2S/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)/p-1/t9-/m0/s1