tert-butyl 4,4,4-trinitrobutanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O8/c1-7(2,3)19-6(12)4-5-8(9(13)14,10(15)16)11(17)18/h4-5H2,1-3H3