4-methylpentyl 3,5-dinitrobenzoate

Systemtic Name: 4-methylpentyl 3,5-dinitrobenzoate Openeye Name: isohexyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid isohexyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-9(2)4-3-5-21-13(16)10-6-11(14(17)18)8-12(7-10)15(19)20/h6-9H,3-5H2,1-2H3