sodium 1-oxidanylidene-1-phenyl-propane-2-sulfonate

Systemtic Name: sodium 1-oxidanylidene-1-phenyl-propane-2-sulfonate Openeye Name: sodium 1-oxo-1-phenyl-propane-2-sulfonate CAS Name: sodium 1-oxo-1-phenyl-2-propanesulfonate IUPAC Name: sodium 1-oxo-1-phenylpropane-2-sulfonate Traditional Name: sodium 1-keto-1-phenyl-propane-2-sulfonate Formula: C9H9NaO4S MolecularWeight: 236.22013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O4S.Na/c1-7(14(11,12)13)9(10)8-5-3-2-4-6-8;/h2-7H,1H3,(H,11,12,13);/q;+1/p-1