2-(2-methyl-4-nitro-imidazol-2-yl)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate

Systemtic Name: 2-(2-methyl-4-nitro-imidazol-2-yl)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate Openeye Name: 2-(2-methyl-4-nitro-imidazol-2-yl)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate CAS Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid 2-(2-methyl-4-nitro-2-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-4-nitroimidazol-2-yl)ethyl (6E,9E,12E)-octadeca-6,9,12-trienoate Traditional Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid 2-(2-methyl-4-nitro-imidazol-2-yl)ethyl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)OCCC1(N=CC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OCCC1(N=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C24H37N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(28)31-20-19-24(2)25-21-22(26-24)27(29)30/h7-8,10-11,13-14,21H,3-6,9,12,15-20H2,1-2H3/b8-7+,11-10+,14-13+