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

Systemtic Name: (E)-8-(4,5-dihydro-1,2-oxazol-5-yl)-11-oxidanylidene-heptadec-9-enoic acid Openeye Name: (E)-8-(4,5-dihydroisoxazol-5-yl)-11-oxo-heptadec-9-enoic acid CAS Name: (E)-8-(4,5-dihydroisoxazol-5-yl)-11-oxo-9-heptadecenoic acid IUPAC Name: (E)-8-(4,5-dihydro-1,2-oxazol-5-yl)-11-oxoheptadec-9-enoic acid Traditional Name: (E)-8-(2-isoxazolin-5-yl)-11-keto-heptadec-9-enoic acid Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4/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/h13-14,16-17,19H,2-12,15H2,1H3,(H,23,24)/b14-13+