4-chloranyl-2,3-dimethyl-5-sulfino-benzoic acid

Systemtic Name: 4-chloranyl-2,3-dimethyl-5-sulfino-benzoic acid Openeye Name: 4-chloro-2,3-dimethyl-5-sulfino-benzoic acid CAS Name: 4-chloro-2,3-dimethyl-5-sulfinobenzoic acid IUPAC Name: 4-chloro-2,3-dimethyl-5-sulfinobenzoic acid Traditional Name: 4-chloro-2,3-dimethyl-5-sulfino-benzoic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)S(=O)O)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)S(=O)O)Cl)C

InChI

InChI=1S/C9H9ClO4S/c1-4-5(2)8(10)7(15(13)14)3-6(4)9(11)12/h3H,1-2H3,(H,11,12)(H,13,14)