2-ethylhexyl 3,5-dinitrobenzoate

Systemtic Name: 2-ethylhexyl 3,5-dinitrobenzoate Openeye Name: 2-ethylhexyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-ethylhexyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6/c1-3-5-6-11(4-2)10-23-15(18)12-7-13(16(19)20)9-14(8-12)17(21)22/h7-9,11H,3-6,10H2,1-2H3