2,2,2-trinitroethyl octadecanoate

Systemtic Name: 2,2,2-trinitroethyl octadecanoate Openeye Name: 2,2,2-trinitroethyl octadecanoate CAS Name: octadecanoic acid 2,2,2-trinitroethyl ester IUPAC Name: 2,2,2-trinitroethyl octadecanoate Traditional Name: stearic acid 2,2,2-trinitroethyl ester Formula: C20H37N3O8 MolecularWeight: 447.52308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)31-18-20(21(25)26,22(27)28)23(29)30/h2-18H2,1H3