2-(2-methyl-3-methylsulfanyl-phenyl)propanoic acid

Systemtic Name: 2-(2-methyl-3-methylsulfanyl-phenyl)propanoic acid Openeye Name: 2-(2-methyl-3-methylsulfanyl-phenyl)propanoic acid CAS Name: 2-[2-methyl-3-(methylthio)phenyl]propanoic acid IUPAC Name: 2-(2-methyl-3-methylsulfanylphenyl)propanoic acid Traditional Name: 2-[2-methyl-3-(methylthio)phenyl]propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SC)C(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1SC)C(C)C(=O)O

InChI

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