sodium 2-[(E)-3-oxidanylidenebut-1-enyl]benzenesulfonate

Systemtic Name: sodium 2-[(E)-3-oxidanylidenebut-1-enyl]benzenesulfonate Openeye Name: sodium 2-[(E)-3-oxobut-1-enyl]benzenesulfonate CAS Name: sodium 2-[(E)-3-oxobut-1-enyl]benzenesulfonate IUPAC Name: sodium 2-[(E)-3-oxobut-1-enyl]benzenesulfonate Traditional Name: sodium 2-[(E)-3-ketobut-1-enyl]besylate Formula: C10H9NaO4S MolecularWeight: 248.23083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H10O4S.Na/c1-8(11)6-7-9-4-2-3-5-10(9)15(12,13)14;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1/b7-6+;