4-[(Z)-4-diazonio-3-oxidanidyl-5-oxidanylidene-7-(4-sulfonatophenyl)hept-3-enyl]benzenesulfonate; triethylazanium

Systemtic Name: 4-[(Z)-4-diazonio-3-oxidanidyl-5-oxidanylidene-7-(4-sulfonatophenyl)hept-3-enyl]benzenesulfonate; triethylazanium Openeye Name: 4-[(Z)-4-diazonio-3-oxido-5-oxo-7-(4-sulfonatophenyl)hept-3-enyl]benzenesulfonate; triethylammonium CAS Name: 4-[(Z)-4-diazonio-3-oxido-5-oxo-7-(4-sulfonatophenyl)hept-3-enyl]benzenesulfonate; triethylammonium IUPAC Name: 4-[(Z)-4-diazonio-3-oxido-5-oxo-7-(4-sulfonatophenyl)hept-3-enyl]benzenesulfonate; triethylazanium Traditional Name: 4-[(Z)-4-diazonio-5-keto-3-oxido-7-(4-sulfonatophenyl)hept-3-enyl]besylate; triethylammonium Formula: C31H48N4O8S2 MolecularWeight: 668.86482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC(=CC=C1CCC(=C(C(=O)CCC2=CC=C(C=C2)S(=O)(=O)[O-])[N+]#N)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC(=CC=C1CC/C(=C(\C(=O)CCC2=CC=C(C=C2)S(=O)(=O)[O-])/[N+]#N)/[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C19H18N2O8S2.2C6H15N/c20-21-19(17(22)11-5-13-1-7-15(8-2-13)30(24,25)26)18(23)12-6-14-3-9-16(10-4-14)31(27,28)29;2*1-4-7(5-2)6-3/h1-4,7-10H,5-6,11-12H2,(H2-,22,23,24,25,26,27,28,29);2*4-6H2,1-3H3