methyl 12-nitro-13-oxidanyl-octadecanoate

Systemtic Name: methyl 12-nitro-13-oxidanyl-octadecanoate Openeye Name: methyl 13-hydroxy-12-nitro-octadecanoate CAS Name: 13-hydroxy-12-nitrooctadecanoic acid methyl ester IUPAC Name: methyl 13-hydroxy-12-nitrooctadecanoate Traditional Name: 13-hydroxy-12-nitro-stearic acid methyl ester Formula: C19H37NO5 MolecularWeight: 359.50078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H37NO5/c1-3-4-11-15-18(21)17(20(23)24)14-12-9-7-5-6-8-10-13-16-19(22)25-2/h17-18,21H,3-16H2,1-2H3