sodium 4,5-dimethyl-2-(4-methylphenyl)carbonyl-benzenesulfonate

Systemtic Name: sodium 4,5-dimethyl-2-(4-methylphenyl)carbonyl-benzenesulfonate Openeye Name: sodium 4,5-dimethyl-2-(4-methylbenzoyl)benzenesulfonate CAS Name: sodium 4,5-dimethyl-2-[(4-methylphenyl)-oxomethyl]benzenesulfonate IUPAC Name: sodium 4,5-dimethyl-2-(4-methylbenzoyl)benzenesulfonate Traditional Name: sodium 4,5-dimethyl-2-p-toluoyl-besylate Formula: C16H15NaO4S MolecularWeight: 326.34267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2S(=O)(=O)[O-])C)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2S(=O)(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C16H16O4S.Na/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);/q;+1/p-1