propyl 4,4,4-trinitrobutanoate

Systemtic Name: propyl 4,4,4-trinitrobutanoate Openeye Name: propyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid propyl ester IUPAC Name: propyl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid propyl ester Formula: C7H11N3O8 MolecularWeight: 265.17754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O8/c1-2-5-18-6(11)3-4-7(8(12)13,9(14)15)10(16)17/h2-5H2,1H3