sodium 3-oxidanylidene-2-phenyl-butane-2-sulfonic acid

Systemtic Name: sodium 3-oxidanylidene-2-phenyl-butane-2-sulfonic acid Openeye Name: sodium 3-oxo-2-phenyl-butane-2-sulfonic acid CAS Name: sodium 3-oxo-2-phenyl-2-butanesulfonic acid IUPAC Name: sodium 3-oxo-2-phenylbutane-2-sulfonic acid Traditional Name: sodium 3-keto-2-phenyl-butane-2-sulfonic acid Formula: C10H12NaO4S+ MolecularWeight: 251.25465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S.Na/c1-8(11)10(2,15(12,13)14)9-6-4-3-5-7-9;/h3-7H,1-2H3,(H,12,13,14);/q;+1