2-methoxy-5-methyl-3-sulfanyl-benzoic acid

Systemtic Name: 2-methoxy-5-methyl-3-sulfanyl-benzoic acid Openeye Name: 2-methoxy-5-methyl-3-sulfanyl-benzoic acid CAS Name: 3-mercapto-2-methoxy-5-methylbenzoic acid IUPAC Name: 2-methoxy-5-methyl-3-sulfanylbenzoic acid Traditional Name: 3-mercapto-2-methoxy-5-methyl-benzoic acid Formula: C9H10O3S MolecularWeight: 198.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)OC)S

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)OC)S

InChI

InChI=1S/C9H10O3S/c1-5-3-6(9(10)11)8(12-2)7(13)4-5/h3-4,13H,1-2H3,(H,10,11)