4-[(Z)-5-diazonio-4-oxidanidyl-6-oxidanylidene-9-(4-sulfonatophenyl)non-4-enyl]benzenesulfonate; triethylazanium

Systemtic Name: 4-[(Z)-5-diazonio-4-oxidanidyl-6-oxidanylidene-9-(4-sulfonatophenyl)non-4-enyl]benzenesulfonate; triethylazanium Openeye Name: 4-[(Z)-5-diazonio-4-oxido-6-oxo-9-(4-sulfonatophenyl)non-4-enyl]benzenesulfonate; triethylammonium CAS Name: 4-[(Z)-5-diazonio-4-oxido-6-oxo-9-(4-sulfonatophenyl)non-4-enyl]benzenesulfonate; triethylammonium IUPAC Name: 4-[(Z)-5-diazonio-4-oxido-6-oxo-9-(4-sulfonatophenyl)non-4-enyl]benzenesulfonate; triethylazanium Traditional Name: 4-[(Z)-5-diazonio-6-keto-4-oxido-9-(4-sulfonatophenyl)non-4-enyl]besylate; triethylammonium Formula: C33H52N4O8S2 MolecularWeight: 696.91798

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.C1=CC(=CC=C1CCCC(=C(C(=O)CCCC2=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=C1CCC/C(=C(\C(=O)CCCC2=CC=C(C=C2)S(=O)(=O)[O-])/[N+]#N)/[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C21H22N2O8S2.2C6H15N/c22-23-21(19(24)5-1-3-15-7-11-17(12-8-15)32(26,27)28)20(25)6-2-4-16-9-13-18(14-10-16)33(29,30)31;2*1-4-7(5-2)6-3/h7-14H,1-6H2,(H2-,24,25,26,27,28,29,30,31);2*4-6H2,1-3H3