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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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