2-ethylhexyl 4-tert-butyl-3,5-dinitro-benzoate

Systemtic Name: 2-ethylhexyl 4-tert-butyl-3,5-dinitro-benzoate Openeye Name: 2-ethylhexyl 4-tert-butyl-3,5-dinitro-benzoate CAS Name: 4-tert-butyl-3,5-dinitrobenzoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-tert-butyl-3,5-dinitrobenzoate Traditional Name: 4-tert-butyl-3,5-dinitro-benzoic acid 2-ethylhexyl ester Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6/c1-6-8-9-13(7-2)12-27-18(22)14-10-15(20(23)24)17(19(3,4)5)16(11-14)21(25)26/h10-11,13H,6-9,12H2,1-5H3