diazanium 5-[(Z)-4-diazonio-7-(4-methyl-3-sulfonato-phenyl)-3-oxidanidyl-5-oxidanylidene-hept-3-enyl]-2-methyl-benzenesulfonate

Systemtic Name: diazanium 5-[(Z)-4-diazonio-7-(4-methyl-3-sulfonato-phenyl)-3-oxidanidyl-5-oxidanylidene-hept-3-enyl]-2-methyl-benzenesulfonate Openeye Name: diammonium 5-[(Z)-4-diazonio-7-(4-methyl-3-sulfonato-phenyl)-3-oxido-5-oxo-hept-3-enyl]-2-methyl-benzenesulfonate CAS Name: diammonium 5-[(Z)-4-diazonio-7-(4-methyl-3-sulfonatophenyl)-3-oxido-5-oxohept-3-enyl]-2-methylbenzenesulfonate IUPAC Name: diazanium 5-[(Z)-4-diazonio-7-(4-methyl-3-sulfonatophenyl)-3-oxido-5-oxohept-3-enyl]-2-methylbenzenesulfonate Traditional Name: diammonium 5-[(Z)-4-diazonio-5-keto-7-(4-methyl-3-sulfonato-phenyl)-3-oxido-hept-3-enyl]-2-methyl-besylate Formula: C21H28N4O8S2 MolecularWeight: 528.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=C(C(=O)CCC2=CC(=C(C=C2)C)S(=O)(=O)[O-])[N+]#N)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CC1=C(C=C(C=C1)CC/C(=C(\C(=O)CCC2=CC(=C(C=C2)C)S(=O)(=O)[O-])/[N+]#N)/[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C21H22N2O8S2.2H3N/c1-13-3-5-15(11-19(13)32(26,27)28)7-9-17(24)21(23-22)18(25)10-8-16-6-4-14(2)20(12-16)33(29,30)31;;/h3-6,11-12H,7-10H2,1-2H3,(H2-,24,25,26,27,28,29,30,31);2*1H3