butan-2-yl 4,4,4-trinitrobutanoate

Systemtic Name: butan-2-yl 4,4,4-trinitrobutanoate Openeye Name: sec-butyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid sec-butyl ester Formula: C8H13N3O8 MolecularWeight: 279.20412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H13N3O8/c1-3-6(2)19-7(12)4-5-8(9(13)14,10(15)16)11(17)18/h6H,3-5H2,1-2H3