sodium 3-oxidanylidene-1-phenyl-butane-1-sulfonate

Systemtic Name: sodium 3-oxidanylidene-1-phenyl-butane-1-sulfonate Openeye Name: sodium 3-oxo-1-phenyl-butane-1-sulfonate CAS Name: sodium 3-oxo-1-phenyl-1-butanesulfonate IUPAC Name: sodium 3-oxo-1-phenylbutane-1-sulfonate Traditional Name: sodium 3-keto-1-phenyl-butane-1-sulfonate Formula: C10H11NaO4S MolecularWeight: 250.24671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S.Na/c1-8(11)7-10(15(12,13)14)9-5-3-2-4-6-9;/h2-6,10H,7H2,1H3,(H,12,13,14);/q;+1/p-1