2,2,5,9-tetramethyldeca-3,4,8-trienyl 3,5-dinitrobenzoate

Systemtic Name: 2,2,5,9-tetramethyldeca-3,4,8-trienyl 3,5-dinitrobenzoate Openeye Name: 2,2,5,9-tetramethyldeca-3,4,8-trienyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2,2,5,9-tetramethyldeca-3,4,8-trienyl ester IUPAC Name: 2,2,5,9-tetramethyldeca-3,4,8-trienyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2,2,5,9-tetramethyldeca-3,4,8-trienyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-15(2)7-6-8-16(3)9-10-21(4,5)14-29-20(24)17-11-18(22(25)26)13-19(12-17)23(27)28/h7,10-13H,6,8,14H2,1-5H3