2,2-dimethylheptan-3-yl 3,5-dinitrobenzoate

Systemtic Name: 2,2-dimethylheptan-3-yl 3,5-dinitrobenzoate Openeye Name: 1-tert-butylpentyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2,2-dimethylheptan-3-yl ester IUPAC Name: 2,2-dimethylheptan-3-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-tert-butylpentyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-5-6-7-14(16(2,3)4)24-15(19)11-8-12(17(20)21)10-13(9-11)18(22)23/h8-10,14H,5-7H2,1-4H3