[4,4-bis(fluoranyl)-3,7-dimethyl-octa-1,6-dien-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [4,4-bis(fluoranyl)-3,7-dimethyl-octa-1,6-dien-3-yl] 3,5-dinitrobenzoate Openeye Name: (2,2-difluoro-1,5-dimethyl-1-vinyl-hex-4-enyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4,4-difluoro-3,7-dimethylocta-1,6-dien-3-yl) ester IUPAC Name: (4,4-difluoro-3,7-dimethylocta-1,6-dien-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,2-difluoro-1,5-dimethyl-1-vinyl-hex-4-enyl) ester Formula: C17H18F2N2O6 MolecularWeight: 384.331426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F2N2O6/c1-5-16(4,17(18,19)7-6-11(2)3)27-15(22)12-8-13(20(23)24)10-14(9-12)21(25)26/h5-6,8-10H,1,7H2,2-4H3