[(2Z)-3,7-dimethylocta-2,6-dienyl] 3,5-dinitrobenzoate

Systemtic Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3,5-dinitrobenzoate Openeye Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C)C

Isomeric SMILES

CC(=CCC/C(=C\COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/C)C

InChI

InChI=1S/C17H20N2O6/c1-12(2)5-4-6-13(3)7-8-25-17(20)14-9-15(18(21)22)11-16(10-14)19(23)24/h5,7,9-11H,4,6,8H2,1-3H3/b13-7-