methyl (5Z,8Z,11E,13E,15S)-11-nitro-15-oxidanyl-icosa-5,8,11,13-tetraenoate

Systemtic Name: methyl (5Z,8Z,11E,13E,15S)-11-nitro-15-oxidanyl-icosa-5,8,11,13-tetraenoate Openeye Name: methyl (5Z,8Z,11E,13E,15S)-15-hydroxy-11-nitro-icosa-5,8,11,13-tetraenoate CAS Name: (5Z,8Z,11E,13E,15S)-15-hydroxy-11-nitroeicosa-5,8,11,13-tetraenoic acid methyl ester IUPAC Name: methyl (5Z,8Z,11E,13E,15S)-15-hydroxy-11-nitroicosa-5,8,11,13-tetraenoate Traditional Name: (5Z,8Z,11E,13E,15S)-15-hydroxy-11-nitro-eicosa-5,8,11,13-tetraenoic acid methyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=C(CC=CCC=CCCCC(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CCCCC[C@@H](/C=C/C=C(\C/C=C\C/C=C\CCCC(=O)OC)/[N+](=O)[O-])O

InChI

InChI=1S/C21H33NO5/c1-3-4-10-16-20(23)17-13-15-19(22(25)26)14-11-8-6-5-7-9-12-18-21(24)27-2/h5,7-8,11,13,15,17,20,23H,3-4,6,9-10,12,14,16,18H2,1-2H3/b7-5-,11-8-,17-13+,19-15+/t20-/m0/s1