sodium 4-ethanoylbenzenesulfonate

Systemtic Name: sodium 4-ethanoylbenzenesulfonate Openeye Name: sodium 4-acetylbenzenesulfonate CAS Name: sodium 4-acetylbenzenesulfonate IUPAC Name: sodium 4-acetylbenzenesulfonate Traditional Name: sodium 4-acetylbesylate Formula: C8H7NaO4S MolecularWeight: 222.19355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O4S.Na/c1-6(9)7-2-4-8(5-3-7)13(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1