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

Systemtic Name: (Z)-1,7-bis(3-methoxysulfonyl-4-methyl-phenyl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium Openeye Name: (Z)-3-hydroxy-1,7-bis(3-methoxysulfonyl-4-methyl-phenyl)-5-oxo-hept-3-ene-4-diazonium CAS Name: (Z)-3-hydroxy-1,7-bis(3-methoxysulfonyl-4-methylphenyl)-5-oxo-3-heptene-4-diazonium IUPAC Name: (Z)-3-hydroxy-1,7-bis(3-methoxysulfonyl-4-methylphenyl)-5-oxohept-3-ene-4-diazonium Traditional Name: (Z)-3-hydroxy-5-keto-1,7-bis(3-methoxysulfonyl-4-methyl-phenyl)hept-3-ene-4-diazonium Formula: C23H27N2O8S2+ MolecularWeight: 523.59908

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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)OC)[N+]#N)O)S(=O)(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O8S2/c1-15-5-7-17(13-21(15)34(28,29)32-3)9-11-19(26)23(25-24)20(27)12-10-18-8-6-16(2)22(14-18)35(30,31)33-4/h5-8,13-14H,9-12H2,1-4H3/p+1