[3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] 3,5-dinitrobenzoate

Systemtic Name: [3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] 3,5-dinitrobenzoate Openeye Name: [3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(4-tert-butylphenyl)-2,2-dimethylpropyl] ester IUPAC Name: [3-(4-tert-butylphenyl)-2,2-dimethylpropyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-21(2,3)17-8-6-15(7-9-17)13-22(4,5)14-30-20(25)16-10-18(23(26)27)12-19(11-16)24(28)29/h6-12H,13-14H2,1-5H3