sodium 2-(3-oxidanylidenebutyl)benzenesulfonate

Systemtic Name: sodium 2-(3-oxidanylidenebutyl)benzenesulfonate Openeye Name: sodium 2-(3-oxobutyl)benzenesulfonate CAS Name: sodium 2-(3-oxobutyl)benzenesulfonate IUPAC Name: sodium 2-(3-oxobutyl)benzenesulfonate Traditional Name: sodium 2-(3-ketobutyl)besylate Formula: C10H11NaO4S MolecularWeight: 250.24671

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)CCC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

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