methyl (9E,11E,13S)-9-nitro-13-oxidanyl-octadeca-9,11-dienoate

Systemtic Name: methyl (9E,11E,13S)-9-nitro-13-oxidanyl-octadeca-9,11-dienoate Openeye Name: methyl (9E,11E,13S)-13-hydroxy-9-nitro-octadeca-9,11-dienoate CAS Name: (9E,11E,13S)-13-hydroxy-9-nitrooctadeca-9,11-dienoic acid methyl ester IUPAC Name: methyl (9E,11E,13S)-13-hydroxy-9-nitrooctadeca-9,11-dienoate Traditional Name: (9E,11E,13S)-13-hydroxy-9-nitro-octadeca-9,11-dienoic acid methyl ester Formula: C19H33NO5 MolecularWeight: 355.46902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=C(CCCCCCCC(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CCCCC[C@@H](/C=C/C=C(\CCCCCCCC(=O)OC)/[N+](=O)[O-])O

InChI

InChI=1S/C19H33NO5/c1-3-4-8-14-18(21)15-11-13-17(20(23)24)12-9-6-5-7-10-16-19(22)25-2/h11,13,15,18,21H,3-10,12,14,16H2,1-2H3/b15-11+,17-13+/t18-/m0/s1