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

Systemtic Name: (Z)-4-diazonio-5-oxidanylidene-1-(4-sulfophenyl)hex-3-en-3-olate Openeye Name: (Z)-4-diazonio-5-oxo-1-(4-sulfophenyl)hex-3-en-3-olate CAS Name: (Z)-4-diazonio-5-oxo-1-(4-sulfophenyl)-3-hexen-3-olate IUPAC Name: (Z)-4-diazonio-5-oxo-1-(4-sulfophenyl)hex-3-en-3-olate Traditional Name: (Z)-4-diazonio-5-keto-1-(4-sulfophenyl)hex-3-en-3-olate Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S/c1-8(15)12(14-13)11(16)7-4-9-2-5-10(6-3-9)20(17,18)19/h2-3,5-6H,4,7H2,1H3,(H-,15,16,17,18,19)