3,7-dimethylocta-1,6-dien-3-yl 3,5-dinitrobenzoate

Systemtic Name: 3,7-dimethylocta-1,6-dien-3-yl 3,5-dinitrobenzoate Openeye Name: (1,5-dimethyl-1-vinyl-hex-4-enyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 3,7-dimethylocta-1,6-dien-3-yl ester IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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