2,2-dimethylpropyl 4,4,4-trinitrobutanoate

Systemtic Name: 2,2-dimethylpropyl 4,4,4-trinitrobutanoate Openeye Name: 2,2-dimethylpropyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid neopentyl ester Formula: C9H15N3O8 MolecularWeight: 293.2307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O8/c1-8(2,3)6-20-7(13)4-5-9(10(14)15,11(16)17)12(18)19/h4-6H2,1-3H3