ethyl 4,4,4-trinitrobutanoate

Systemtic Name: ethyl 4,4,4-trinitrobutanoate Openeye Name: ethyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid ethyl ester Formula: C6H9N3O8 MolecularWeight: 251.15096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O8/c1-2-17-5(10)3-4-6(7(11)12,8(13)14)9(15)16/h2-4H2,1H3