ethyl (9E,11E)-9,13-dinitrooctadeca-9,11-dienoate

Systemtic Name: ethyl (9E,11E)-9,13-dinitrooctadeca-9,11-dienoate Openeye Name: ethyl (9E,11E)-9,13-dinitrooctadeca-9,11-dienoate CAS Name: (9E,11E)-9,13-dinitrooctadeca-9,11-dienoic acid ethyl ester IUPAC Name: ethyl (9E,11E)-9,13-dinitrooctadeca-9,11-dienoate Traditional Name: (9E,11E)-9,13-dinitrooctadeca-9,11-dienoic acid ethyl ester Formula: C20H34N2O6 MolecularWeight: 398.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=C(CCCCCCCC(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(/C=C/C=C(\CCCCCCCC(=O)OCC)/[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H34N2O6/c1-3-5-9-13-18(21(24)25)15-12-16-19(22(26)27)14-10-7-6-8-11-17-20(23)28-4-2/h12,15-16,18H,3-11,13-14,17H2,1-2H3/b15-12+,19-16+