(Z)-4-diazonio-5-oxidanylidene-1,7-bis(4-sulfophenyl)hept-3-en-3-olate

Systemtic Name: (Z)-4-diazonio-5-oxidanylidene-1,7-bis(4-sulfophenyl)hept-3-en-3-olate Openeye Name: (Z)-4-diazonio-5-oxo-1,7-bis(4-sulfophenyl)hept-3-en-3-olate CAS Name: (Z)-4-diazonio-5-oxo-1,7-bis(4-sulfophenyl)-3-hepten-3-olate IUPAC Name: (Z)-4-diazonio-5-oxo-1,7-bis(4-sulfophenyl)hept-3-en-3-olate Traditional Name: (Z)-4-diazonio-5-keto-1,7-bis(4-sulfophenyl)hept-3-en-3-olate Formula: C19H18N2O8S2 MolecularWeight: 466.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

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/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/h1-4,7-10H,5-6,11-12H2,(H2-,22,23,24,25,26,27,28,29)