sodium 2,4,6-trimethyl-3-(phenylcarbonyl)benzenesulfonate

Systemtic Name: sodium 2,4,6-trimethyl-3-(phenylcarbonyl)benzenesulfonate Openeye Name: sodium 3-benzoyl-2,4,6-trimethyl-benzenesulfonate CAS Name: sodium 3-benzoyl-2,4,6-trimethylbenzenesulfonate IUPAC Name: sodium 3-benzoyl-2,4,6-trimethylbenzenesulfonate Traditional Name: sodium 3-benzoyl-2,4,6-trimethyl-besylate Formula: C16H15NaO4S MolecularWeight: 326.34267

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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.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C2=CC=CC=C2)C)S(=O)(=O)[O-])C.[Na+]

InChI

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