2,2-dinitropropyl octadecanoate

Systemtic Name: 2,2-dinitropropyl octadecanoate Openeye Name: 2,2-dinitropropyl octadecanoate CAS Name: octadecanoic acid 2,2-dinitropropyl ester IUPAC Name: 2,2-dinitropropyl octadecanoate Traditional Name: stearic acid 2,2-dinitropropyl ester Formula: C21H40N2O6 MolecularWeight: 416.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H40N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)29-19-21(2,22(25)26)23(27)28/h3-19H2,1-2H3