(E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[11-(4-nitrophenoxy)-11-oxidanylidene-undecoxy]methanolate

Systemtic Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[11-(4-nitrophenoxy)-11-oxidanylidene-undecoxy]methanolate Openeye Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[11-(4-nitrophenoxy)-11-oxo-undecoxy]methanolate CAS Name: (E)-(2-diazonio-1-cyclopenta-2,4-dienylidene)-[11-(4-nitrophenoxy)-11-oxoundecoxy]methanolate IUPAC Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[11-(4-nitrophenoxy)-11-oxoundecoxy]methanolate Traditional Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[11-keto-11-(4-nitrophenoxy)undecoxy]methanolate Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([O-])OCCCCCCCCCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=C1)[N+]#N

Isomeric SMILES

C1=C/C(=C(/[O-])\OCCCCCCCCCCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])/C(=C1)[N+]#N

InChI

InChI=1S/C23H27N3O6/c24-25-21-11-9-10-20(21)23(28)31-17-8-6-4-2-1-3-5-7-12-22(27)32-19-15-13-18(14-16-19)26(29)30/h9-11,13-16H,1-8,12,17H2/b23-20+