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

Systemtic Name: (Z)-4-diazonio-1,7-bis(3-methoxysulfonyl-4-methyl-phenyl)-5-oxidanylidene-hept-3-en-3-olate Openeye Name: (Z)-4-diazonio-1,7-bis(3-methoxysulfonyl-4-methyl-phenyl)-5-oxo-hept-3-en-3-olate CAS Name: (Z)-4-diazonio-1,7-bis(3-methoxysulfonyl-4-methylphenyl)-5-oxo-3-hepten-3-olate IUPAC Name: (Z)-4-diazonio-1,7-bis(3-methoxysulfonyl-4-methylphenyl)-5-oxohept-3-en-3-olate Traditional Name: (Z)-4-diazonio-5-keto-1,7-bis(3-methoxysulfonyl-4-methyl-phenyl)hept-3-en-3-olate Formula: C23H26N2O8S2 MolecularWeight: 522.59114

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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