4,5-dimethyl-2-(4-methylphenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 4,5-dimethyl-2-(4-methylphenyl)carbonyl-benzenesulfonic acid Openeye Name: 4,5-dimethyl-2-(4-methylbenzoyl)benzenesulfonic acid CAS Name: 4,5-dimethyl-2-[(4-methylphenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 4,5-dimethyl-2-(4-methylbenzoyl)benzenesulfonic acid Traditional Name: 4,5-dimethyl-2-p-toluoyl-besylic acid Formula: C16H16O4S MolecularWeight: 304.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2S(=O)(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2S(=O)(=O)O)C)C

InChI

InChI=1S/C16H16O4S/c1-10-4-6-13(7-5-10)16(17)14-8-11(2)12(3)9-15(14)21(18,19)20/h4-9H,1-3H3,(H,18,19,20)