[(E)-hex-3-enyl] 3,5-dinitrobenzoate

Systemtic Name: [(E)-hex-3-enyl] 3,5-dinitrobenzoate Openeye Name: [(E)-hex-3-enyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-hex-3-enyl] ester IUPAC Name: [(E)-hex-3-enyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-hex-3-enyl] ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h3-4,7-9H,2,5-6H2,1H3/b4-3+