propan-2-yl 4,4,4-trinitrobutanoate

Systemtic Name: propan-2-yl 4,4,4-trinitrobutanoate Openeye Name: isopropyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid isopropyl ester Formula: C7H11N3O8 MolecularWeight: 265.17754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O8/c1-5(2)18-6(11)3-4-7(8(12)13,9(14)15)10(16)17/h5H,3-4H2,1-2H3