(5E)-5-[[11-(4-nitrophenoxy)-11-oxidanylidene-undecoxy]-oxidanyl-methylidene]cyclopenta-1,3-diene-1-diazonium

Systemtic Name: (5E)-5-[[11-(4-nitrophenoxy)-11-oxidanylidene-undecoxy]-oxidanyl-methylidene]cyclopenta-1,3-diene-1-diazonium Openeye Name: (5E)-5-[hydroxy-[11-(4-nitrophenoxy)-11-oxo-undecoxy]methylene]cyclopenta-1,3-diene-1-diazonium CAS Name: (5E)-5-[hydroxy-[11-(4-nitrophenoxy)-11-oxoundecoxy]methylidene]-1-cyclopenta-1,3-dienediazonium IUPAC Name: (5E)-5-[hydroxy-[11-(4-nitrophenoxy)-11-oxoundecoxy]methylidene]cyclopenta-1,3-diene-1-diazonium Traditional Name: (5E)-5-[hydroxy-[11-keto-11-(4-nitrophenoxy)undecoxy]methylene]cyclopenta-1,3-diene-1-diazonium Formula: C23H28N3O6+ MolecularWeight: 442.48492

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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/p+1/b23-20+