3,4-dimethyl-5-sulfino-benzoic acid

Systemtic Name: 3,4-dimethyl-5-sulfino-benzoic acid Openeye Name: 3,4-dimethyl-5-sulfino-benzoic acid CAS Name: 3,4-dimethyl-5-sulfinobenzoic acid IUPAC Name: 3,4-dimethyl-5-sulfinobenzoic acid Traditional Name: 3,4-dimethyl-5-sulfino-benzoic acid Formula: C9H10O4S MolecularWeight: 214.2383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O4S/c1-5-3-7(9(10)11)4-8(6(5)2)14(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)