(5E,9E)-8-(4,5-dihydro-1,2-oxazol-5-yl)-11-oxidanylidene-heptadeca-5,9-dienoic acid

Systemtic Name: (5E,9E)-8-(4,5-dihydro-1,2-oxazol-5-yl)-11-oxidanylidene-heptadeca-5,9-dienoic acid Openeye Name: (5E,9E)-8-(4,5-dihydroisoxazol-5-yl)-11-oxo-heptadeca-5,9-dienoic acid CAS Name: (5E,9E)-8-(4,5-dihydroisoxazol-5-yl)-11-oxoheptadeca-5,9-dienoic acid IUPAC Name: (5E,9E)-8-(4,5-dihydro-1,2-oxazol-5-yl)-11-oxoheptadeca-5,9-dienoic acid Traditional Name: (5E,9E)-8-(2-isoxazolin-5-yl)-11-keto-heptadeca-5,9-dienoic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C=CC(CC=CCCCC(=O)O)C1CC=NO1

Isomeric SMILES

CCCCCCC(=O)/C=C/C(C/C=C/CCCC(=O)O)C1CC=NO1

InChI

InChI=1S/C20H31NO4/c1-2-3-4-8-11-18(22)14-13-17(19-15-16-21-25-19)10-7-5-6-9-12-20(23)24/h5,7,13-14,16-17,19H,2-4,6,8-12,15H2,1H3,(H,23,24)/b7-5+,14-13+