ethyl (Z)-12-nitro-13-oxidanyl-octadec-9-enoate

Systemtic Name: ethyl (Z)-12-nitro-13-oxidanyl-octadec-9-enoate Openeye Name: ethyl (Z)-13-hydroxy-12-nitro-octadec-9-enoate CAS Name: (Z)-13-hydroxy-12-nitro-9-octadecenoic acid ethyl ester IUPAC Name: ethyl (Z)-13-hydroxy-12-nitrooctadec-9-enoate Traditional Name: (Z)-13-hydroxy-12-nitro-octadec-9-enoic acid ethyl ester Formula: C20H37NO5 MolecularWeight: 371.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)OCC)[N+](=O)[O-])O

Isomeric SMILES

CCCCCC(C(C/C=C\CCCCCCCC(=O)OCC)[N+](=O)[O-])O

InChI

InChI=1S/C20H37NO5/c1-3-5-12-16-19(22)18(21(24)25)15-13-10-8-6-7-9-11-14-17-20(23)26-4-2/h10,13,18-19,22H,3-9,11-12,14-17H2,1-2H3/b13-10-