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

Systemtic Name: (Z)-4-diazonio-1,7-bis(3-ethoxysulfonyl-4-methyl-phenyl)-5-oxidanylidene-hept-3-en-3-olate Openeye Name: (Z)-4-diazonio-1,7-bis(3-ethoxysulfonyl-4-methyl-phenyl)-5-oxo-hept-3-en-3-olate CAS Name: (Z)-4-diazonio-1,7-bis(3-ethoxysulfonyl-4-methylphenyl)-5-oxo-3-hepten-3-olate IUPAC Name: (Z)-4-diazonio-1,7-bis(3-ethoxysulfonyl-4-methylphenyl)-5-oxohept-3-en-3-olate Traditional Name: (Z)-4-diazonio-1,7-bis(3-ethoxysulfonyl-4-methyl-phenyl)-5-keto-hept-3-en-3-olate Formula: C25H30N2O8S2 MolecularWeight: 550.6443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O8S2/c1-5-34-36(30,31)23-15-19(9-7-17(23)3)11-13-21(28)25(27-26)22(29)14-12-20-10-8-18(4)24(16-20)37(32,33)35-6-2/h7-10,15-16H,5-6,11-14H2,1-4H3