methyl 10-nitro-9-oxidanyl-hexadecanoate

Systemtic Name: methyl 10-nitro-9-oxidanyl-hexadecanoate Openeye Name: methyl 9-hydroxy-10-nitro-hexadecanoate CAS Name: 9-hydroxy-10-nitrohexadecanoic acid methyl ester IUPAC Name: methyl 9-hydroxy-10-nitrohexadecanoate Traditional Name: 9-hydroxy-10-nitro-palmitic acid methyl ester Formula: C17H33NO5 MolecularWeight: 331.44762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33NO5/c1-3-4-5-9-12-15(18(21)22)16(19)13-10-7-6-8-11-14-17(20)23-2/h15-16,19H,3-14H2,1-2H3