5-[2,2-bis[(4-diazonio-3-oxidanidyl-5-oxidanylidene-cyclohex-3-en-1-yl)carbonyloxymethyl]butoxycarbonyl]-2-diazonio-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 5-[2,2-bis[(4-diazonio-3-oxidanidyl-5-oxidanylidene-cyclohex-3-en-1-yl)carbonyloxymethyl]butoxycarbonyl]-2-diazonio-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 5-[2,2-bis[(4-diazonio-3-oxido-5-oxo-cyclohex-3-ene-1-carbonyl)oxymethyl]butoxycarbonyl]-2-diazonio-3-oxo-cyclohexen-1-olate CAS Name: 5-[2,2-bis[[(4-diazonio-3-oxido-5-oxo-1-cyclohex-3-enyl)-oxomethoxy]methyl]butoxy-oxomethyl]-2-diazonio-3-oxo-1-cyclohexenolate IUPAC Name: 5-[2,2-bis[(4-diazonio-3-oxido-5-oxocyclohex-3-ene-1-carbonyl)oxymethyl]butoxycarbonyl]-2-diazonio-3-oxocyclohexen-1-olate Traditional Name: 5-[2,2-bis[(4-diazonio-5-keto-3-oxido-cyclohex-3-ene-1-carbonyl)oxymethyl]butoxycarbonyl]-2-diazonio-3-keto-cyclohexen-1-olate Formula: C27H26N6O12 MolecularWeight: 626.52834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1CC(=C(C(=O)C1)[N+]#N)[O-])(COC(=O)C2CC(=C(C(=O)C2)[N+]#N)[O-])COC(=O)C3CC(=C(C(=O)C3)[N+]#N)[O-]

Isomeric SMILES

CCC(COC(=O)C1CC(=C(C(=O)C1)[N+]#N)[O-])(COC(=O)C2CC(=C(C(=O)C2)[N+]#N)[O-])COC(=O)C3CC(=C(C(=O)C3)[N+]#N)[O-]

InChI

InChI=1S/C27H26N6O12/c1-2-27(9-43-24(40)12-3-15(34)21(31-28)16(35)4-12,10-44-25(41)13-5-17(36)22(32-29)18(37)6-13)11-45-26(42)14-7-19(38)23(33-30)20(39)8-14/h12-14H,2-11H2,1H3