methyl 4,4,4-trinitrobutanoate

Systemtic Name: methyl 4,4,4-trinitrobutanoate Openeye Name: methyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid methyl ester IUPAC Name: methyl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid methyl ester Formula: C5H7N3O8 MolecularWeight: 237.12438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H7N3O8/c1-16-4(9)2-3-5(6(10)11,7(12)13)8(14)15/h2-3H2,1H3