2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]ethanoic acid

Systemtic Name: 2-[[(12E,15E)-9-oxidanyl-10-oxidanylidene-octadeca-12,15-dienoyl]amino]ethanoic acid Openeye Name: 2-[[(12E,15E)-9-hydroxy-10-oxo-octadeca-12,15-dienoyl]amino]acetic acid CAS Name: 2-[[(12E,15E)-9-hydroxy-1,10-dioxooctadeca-12,15-dienyl]amino]acetic acid IUPAC Name: 2-[[(12E,15E)-9-hydroxy-10-oxooctadeca-12,15-dienoyl]amino]acetic acid Traditional Name: 2-[[(12E,15E)-9-hydroxy-10-keto-octadeca-12,15-dienoyl]amino]acetic acid Formula: C20H33NO5 MolecularWeight: 367.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC(=O)C(CCCCCCCC(=O)NCC(=O)O)O

Isomeric SMILES

CC/C=C/C/C=C/CC(=O)C(CCCCCCCC(=O)NCC(=O)O)O

InChI

InChI=1S/C20H33NO5/c1-2-3-4-5-7-10-13-17(22)18(23)14-11-8-6-9-12-15-19(24)21-16-20(25)26/h3-4,7,10,18,23H,2,5-6,8-9,11-16H2,1H3,(H,21,24)(H,25,26)/b4-3+,10-7+