(Z)-4-diazonio-5-oxidanylidene-1-(4-sulfamoylphenyl)hex-3-en-3-olate

Systemtic Name: (Z)-4-diazonio-5-oxidanylidene-1-(4-sulfamoylphenyl)hex-3-en-3-olate Openeye Name: (Z)-4-diazonio-5-oxo-1-(4-sulfamoylphenyl)hex-3-en-3-olate CAS Name: (Z)-4-diazonio-5-oxo-1-(4-sulfamoylphenyl)-3-hexen-3-olate IUPAC Name: (Z)-4-diazonio-5-oxo-1-(4-sulfamoylphenyl)hex-3-en-3-olate Traditional Name: (Z)-4-diazonio-5-keto-1-(4-sulfamoylphenyl)hex-3-en-3-olate Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCC1=CC=C(C=C1)S(=O)(=O)N)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\CCC1=CC=C(C=C1)S(=O)(=O)N)/[O-])/[N+]#N

InChI

InChI=1S/C12H13N3O4S/c1-8(16)12(15-13)11(17)7-4-9-2-5-10(6-3-9)20(14,18)19/h2-3,5-6H,4,7H2,1H3,(H2-,14,16,17,18,19)