(Z)-3-oxidanyl-5-oxidanylidene-1,7-bis(4-sulfophenyl)hept-3-ene-4-diazonium

Systemtic Name: (Z)-3-oxidanyl-5-oxidanylidene-1,7-bis(4-sulfophenyl)hept-3-ene-4-diazonium Openeye Name: (Z)-3-hydroxy-5-oxo-1,7-bis(4-sulfophenyl)hept-3-ene-4-diazonium CAS Name: (Z)-3-hydroxy-5-oxo-1,7-bis(4-sulfophenyl)-3-heptene-4-diazonium IUPAC Name: (Z)-3-hydroxy-5-oxo-1,7-bis(4-sulfophenyl)hept-3-ene-4-diazonium Traditional Name: (Z)-3-hydroxy-5-keto-1,7-bis(4-sulfophenyl)hept-3-ene-4-diazonium Formula: C19H19N2O8S2+ MolecularWeight: 467.49276

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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)/p+1