ethyl (Z)-9-nitro-10-oxidanyl-octadec-12-enoate

Systemtic Name: ethyl (Z)-9-nitro-10-oxidanyl-octadec-12-enoate Openeye Name: ethyl (Z)-10-hydroxy-9-nitro-octadec-12-enoate CAS Name: (Z)-10-hydroxy-9-nitro-12-octadecenoic acid ethyl ester IUPAC Name: ethyl (Z)-10-hydroxy-9-nitrooctadec-12-enoate Traditional Name: (Z)-10-hydroxy-9-nitro-octadec-12-enoic acid ethyl ester Formula: C20H37NO5 MolecularWeight: 371.51148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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