octadecyl 4,4,4-trinitrobutanoate

Systemtic Name: octadecyl 4,4,4-trinitrobutanoate Openeye Name: octadecyl 4,4,4-trinitrobutanoate CAS Name: 4,4,4-trinitrobutanoic acid octadecyl ester IUPAC Name: octadecyl 4,4,4-trinitrobutanoate Traditional Name: 4,4,4-trinitrobutyric acid stearyl ester Formula: C22H41N3O8 MolecularWeight: 475.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-21(26)18-19-22(23(27)28,24(29)30)25(31)32/h2-20H2,1H3