hexyl 3,5-dinitrobenzoate

Systemtic Name: hexyl 3,5-dinitrobenzoate Openeye Name: hexyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid hexyl ester IUPAC Name: hexyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid hexyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3