sodium 4-methyl-3-(phenylcarbonyloxy)benzenesulfonate

Systemtic Name: sodium 4-methyl-3-(phenylcarbonyloxy)benzenesulfonate Openeye Name: sodium 3-benzoyloxy-4-methyl-benzenesulfonate CAS Name: sodium 3-benzoyloxy-4-methylbenzenesulfonate IUPAC Name: sodium 3-benzoyloxy-4-methylbenzenesulfonate Traditional Name: sodium 3-benzoyloxy-4-methyl-besylate Formula: C14H11NaO5S MolecularWeight: 314.28891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O5S.Na/c1-10-7-8-12(20(16,17)18)9-13(10)19-14(15)11-5-3-2-4-6-11;/h2-9H,1H3,(H,16,17,18);/q;+1/p-1