(E)-3-cyclohexyl-1-[3-[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]-2-[[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]methyl]-2-(phenylcarbamoylamino)propoxy]-2-diazonio-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-cyclohexyl-1-[3-[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]-2-[[(E)-3-cyclohexyl-2-diazonio-1-oxidanidyl-3-oxidanylidene-prop-1-enoxy]methyl]-2-(phenylcarbamoylamino)propoxy]-2-diazonio-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-3-cyclohexyl-1-[3-[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxo-prop-1-enoxy]-2-[[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxo-prop-1-enoxy]methyl]-2-(phenylcarbamoylamino)propoxy]-2-diazonio-3-oxo-prop-1-en-1-olate CAS Name: (E)-1-[2-[[anilino(oxo)methyl]amino]-3-[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]-2-[[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]methyl]propoxy]-3-cyclohexyl-2-diazonio-3-oxo-1-propen-1-olate IUPAC Name: (E)-3-cyclohexyl-1-[3-[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]-2-[[(E)-3-cyclohexyl-2-diazonio-1-oxido-3-oxoprop-1-enoxy]methyl]-2-(phenylcarbamoylamino)propoxy]-2-diazonio-3-oxoprop-1-en-1-olate Traditional Name: (E)-3-cyclohexyl-1-[3-[(E)-3-cyclohexyl-2-diazonio-3-keto-1-oxido-prop-1-enoxy]-2-[[(E)-3-cyclohexyl-2-diazonio-3-keto-1-oxido-prop-1-enoxy]methyl]-2-(phenylcarbamoylamino)propoxy]-2-diazonio-3-keto-prop-1-en-1-olate Formula: C38H46N8O10 MolecularWeight: 774.81944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=C([O-])OCC(COC(=C(C(=O)C2CCCCC2)[N+]#N)[O-])(COC(=C(C(=O)C3CCCCC3)[N+]#N)[O-])NC(=O)NC4=CC=CC=C4)[N+]#N

Isomeric SMILES

C1CCC(CC1)C(=O)/C(=C(\OCC(NC(=O)NC2=CC=CC=C2)(CO/C(=C(/[N+]#N)\C(=O)C3CCCCC3)/[O-])CO/C(=C(/[N+]#N)\C(=O)C4CCCCC4)/[O-])/[O-])/[N+]#N

InChI

InChI=1S/C38H46N8O10/c39-44-28(31(47)24-13-5-1-6-14-24)34(50)54-21-38(43-37(53)42-27-19-11-4-12-20-27,22-55-35(51)29(45-40)32(48)25-15-7-2-8-16-25)23-56-36(52)30(46-41)33(49)26-17-9-3-10-18-26/h4,11-12,19-20,24-26H,1-3,5-10,13-18,21-23H2,(H2-3,42,43,47,48,49,50,51,52,53)