sodium 4-[2,4-bis(oxidanylidene)pentan-3-yldiazenyl]benzenesulfonate

Systemtic Name: sodium 4-[2,4-bis(oxidanylidene)pentan-3-yldiazenyl]benzenesulfonate Openeye Name: sodium 4-(1-acetyl-2-oxo-propyl)azobenzenesulfonate CAS Name: sodium 4-(2,4-dioxopentan-3-ylazo)benzenesulfonate IUPAC Name: sodium 4-(2,4-dioxopentan-3-yldiazenyl)benzenesulfonate Traditional Name: sodium 4-(1-acetyl-2-keto-propyl)azobesylate Formula: C11H11N2NaO5S MolecularWeight: 306.27021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H12N2O5S.Na/c1-7(14)11(8(2)15)13-12-9-3-5-10(6-4-9)19(16,17)18;/h3-6,11H,1-2H3,(H,16,17,18);/q;+1/p-1