(Z)-5-diazonio-6-oxidanylidene-1,9-bis(4-sulfophenyl)non-4-en-4-olate

Systemtic Name: (Z)-5-diazonio-6-oxidanylidene-1,9-bis(4-sulfophenyl)non-4-en-4-olate Openeye Name: (Z)-5-diazonio-6-oxo-1,9-bis(4-sulfophenyl)non-4-en-4-olate CAS Name: (Z)-5-diazonio-6-oxo-1,9-bis(4-sulfophenyl)-4-nonen-4-olate IUPAC Name: (Z)-5-diazonio-6-oxo-1,9-bis(4-sulfophenyl)non-4-en-4-olate Traditional Name: (Z)-5-diazonio-6-keto-1,9-bis(4-sulfophenyl)non-4-en-4-olate Formula: C21H22N2O8S2 MolecularWeight: 494.53798

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Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h7-14H,1-6H2,(H2-,24,25,26,27,28,29,30,31)