[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 3,5-dinitrobenzoate

Systemtic Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 3,5-dinitrobenzoate Openeye Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester Formula: C22H28N2O6 MolecularWeight: 416.46752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-30-22(25)19-13-20(23(26)27)15-21(14-19)24(28)29/h7,9,11,13-15H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+