(E)-3-cyclohexyl-1-[[2-[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]-3,3-bis[[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]methyl]-1-(hydroxymethyl)cyclohexyl]methoxy]-2-diazonio-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-cyclohexyl-1-[[2-[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]-3,3-bis[[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]methyl]-1-(hydroxymethyl)cyclohexyl]methoxy]-2-diazonio-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-cyclohexyl-1-[[2-[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxo-prop-1-enoxy]-3,3-bis[[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxo-prop-1-enoxy]methyl]-1-(hydroxymethyl)cyclohexyl]methoxy]-2-diazonio-3-oxo-prop-1-en-1-olate CAS Name: (E)-3-cyclohexyl-1-[[2-[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]-3,3-bis[[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]methyl]-1-(hydroxymethyl)cyclohexyl]methoxy]-2-diazonio-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-cyclohexyl-1-[[2-[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]-3,3-bis[[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]methyl]-1-(hydroxymethyl)cyclohexyl]methoxy]-2-diazonio-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-cyclohexyl-1-[[2-[(E)-3-cyclohexyl-2-diazonio-3-keto-1-oxido-prop-1-enoxy]-3,3-bis[[(E)-3-cyclohexyl-2-diazonio-3-keto-1-oxido-prop-1-enoxy]methyl]-1-methylol-cyclohexyl]methoxy]-2-diazonio-3-keto-prop-1-en-1-olate Formula: C46H60N8O13 MolecularWeight: 933.0144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=C([O-])OCC2(CCCC(C2OC(=C(C(=O)C3CCCCC3)[N+]#N)[O-])(COC(=C(C(=O)C4CCCCC4)[N+]#N)[O-])COC(=C(C(=O)C5CCCCC5)[N+]#N)[O-])CO)[N+]#N

Isomeric SMILES

C1CCC(CC1)C(=O)/C(=C(\OCC2(C(C(CCC2)(CO/C(=C(/[N+]#N)\C(=O)C3CCCCC3)/[O-])CO/C(=C(/[N+]#N)\C(=O)C4CCCCC4)/[O-])O/C(=C(/[N+]#N)\C(=O)C5CCCCC5)/[O-])CO)/[O-])/[N+]#N

InChI

InChI=1S/C46H60N8O13/c47-51-32(36(56)28-14-5-1-6-15-28)40(60)64-25-45(24-55)22-13-23-46(26-65-41(61)33(52-48)37(57)29-16-7-2-8-17-29,27-66-42(62)34(53-49)38(58)30-18-9-3-10-19-30)44(45)67-43(63)35(54-50)39(59)31-20-11-4-12-21-31/h28-31,44,55H,1-27H2