[(E)-3-methyl-4-nitro-but-2-enyl] hexadecanoate

Systemtic Name: [(E)-3-methyl-4-nitro-but-2-enyl] hexadecanoate Openeye Name: [(E)-3-methyl-4-nitro-but-2-enyl] hexadecanoate CAS Name: hexadecanoic acid [(E)-3-methyl-4-nitrobut-2-enyl] ester IUPAC Name: [(E)-3-methyl-4-nitrobut-2-enyl] hexadecanoate Traditional Name: palmitic acid [(E)-3-methyl-4-nitro-but-2-enyl] ester Formula: C21H39NO4 MolecularWeight: 369.53866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C[N+](=O)[O-]

InChI

InChI=1S/C21H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-18-17-20(2)19-22(24)25/h17H,3-16,18-19H2,1-2H3/b20-17+