sodium 2-[3-(phenylcarbonyl)phenyl]ethanesulfonate

Systemtic Name: sodium 2-[3-(phenylcarbonyl)phenyl]ethanesulfonate Openeye Name: sodium 2-(3-benzoylphenyl)ethanesulfonate CAS Name: sodium 2-(3-benzoylphenyl)ethanesulfonate IUPAC Name: sodium 2-(3-benzoylphenyl)ethanesulfonate Traditional Name: sodium 2-(3-benzoylphenyl)ethanesulfonate Formula: C15H13NaO4S MolecularWeight: 312.31609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O4S.Na/c16-15(13-6-2-1-3-7-13)14-8-4-5-12(11-14)9-10-20(17,18)19;/h1-8,11H,9-10H2,(H,17,18,19);/q;+1/p-1