2,4,6-trimethyl-3-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2,4,6-trimethyl-3-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 3-benzoyl-2,4,6-trimethyl-benzenesulfonic acid CAS Name: 3-benzoyl-2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 3-benzoyl-2,4,6-trimethylbenzenesulfonic acid Traditional Name: 3-benzoyl-2,4,6-trimethyl-besylic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C2=CC=CC=C2)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C2=CC=CC=C2)C)S(=O)(=O)O)C

InChI

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