[2-(2,3-dimethylbutan-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-(2,3-dimethylbutan-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate Openeye Name: [4-methyl-2-(1,1,2-trimethylpropyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(2,3-dimethylbutan-2-yl)-4-methylphenyl] ester IUPAC Name: [2-(2,3-dimethylbutan-2-yl)-4-methylphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-methyl-2-thexyl-phenyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C(C)C

InChI

InChI=1S/C20H22N2O6/c1-12(2)20(4,5)17-8-13(3)6-7-18(17)28-19(23)14-9-15(21(24)25)11-16(10-14)22(26)27/h6-12H,1-5H3