3-methyl-4-sulfanyl-benzoate

Systemtic Name: 3-methyl-4-sulfanyl-benzoate Openeye Name: 3-methyl-4-sulfanyl-benzoate CAS Name: 4-mercapto-3-methylbenzoate IUPAC Name: 3-methyl-4-sulfanylbenzoate Traditional Name: 4-mercapto-3-methyl-benzoate Formula: C8H7O2S- MolecularWeight: 167.20498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2S/c1-5-4-6(8(9)10)2-3-7(5)11/h2-4,11H,1H3,(H,9,10)/p-1