(3-butyl-3-propan-2-yl-octyl) 3,5-dinitrobenzoate

Systemtic Name: (3-butyl-3-propan-2-yl-octyl) 3,5-dinitrobenzoate Openeye Name: (3-butyl-3-isopropyl-octyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-butyl-3-propan-2-yloctyl) ester IUPAC Name: (3-butyl-3-propan-2-yloctyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3-butyl-3-isopropyl-octyl) ester Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6/c1-5-7-9-11-22(17(3)4,10-8-6-2)12-13-30-21(25)18-14-19(23(26)27)16-20(15-18)24(28)29/h14-17H,5-13H2,1-4H3