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

Systemtic Name: (Z)-1,7-bis(3-ethoxysulfonyl-4-methyl-phenyl)-3-oxidanyl-5-oxidanylidene-hept-3-ene-4-diazonium Openeye Name: (Z)-1,7-bis(3-ethoxysulfonyl-4-methyl-phenyl)-3-hydroxy-5-oxo-hept-3-ene-4-diazonium CAS Name: (Z)-1,7-bis(3-ethoxysulfonyl-4-methylphenyl)-3-hydroxy-5-oxo-3-heptene-4-diazonium IUPAC Name: (Z)-1,7-bis(3-ethoxysulfonyl-4-methylphenyl)-3-hydroxy-5-oxohept-3-ene-4-diazonium Traditional Name: (Z)-1,7-bis(3-ethoxysulfonyl-4-methyl-phenyl)-3-hydroxy-5-keto-hept-3-ene-4-diazonium Formula: C25H31N2O8S2+ MolecularWeight: 551.65224

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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/p+1