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

Systemtic Name: (Z)-1,7-bis(4-methyl-3-sulfo-phenyl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium Openeye Name: (Z)-3-hydroxy-1,7-bis(4-methyl-3-sulfo-phenyl)-5-oxo-hept-3-ene-4-diazonium CAS Name: (Z)-3-hydroxy-1,7-bis(4-methyl-3-sulfophenyl)-5-oxo-3-heptene-4-diazonium IUPAC Name: (Z)-3-hydroxy-1,7-bis(4-methyl-3-sulfophenyl)-5-oxohept-3-ene-4-diazonium Traditional Name: (Z)-3-hydroxy-5-keto-1,7-bis(4-methyl-3-sulfo-phenyl)hept-3-ene-4-diazonium Formula: C21H23N2O8S2+ MolecularWeight: 495.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=C(C(=O)CCC2=CC(=C(C=C2)C)S(=O)(=O)O)[N+]#N)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CC/C(=C(\C(=O)CCC2=CC(=C(C=C2)C)S(=O)(=O)O)/[N+]#N)/O)S(=O)(=O)O

InChI

InChI=1S/C21H22N2O8S2/c1-13-3-5-15(11-19(13)32(26,27)28)7-9-17(24)21(23-22)18(25)10-8-16-6-4-14(2)20(12-16)33(29,30)31/h3-6,11-12H,7-10H2,1-2H3,(H2-,24,25,26,27,28,29,30,31)/p+1