(E)-8-ethanoyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridec-5-enoic acid

Systemtic Name: (E)-8-ethanoyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridec-5-enoic acid Openeye Name: (E)-8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridec-5-enoic acid CAS Name: (E)-8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]-5-tridecenoic acid IUPAC Name: (E)-8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridec-5-enoic acid Traditional Name: (E)-8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridec-5-enoic acid Formula: C22H29F3O5 MolecularWeight: 430.45787

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC(COC1=CC=CC(=C1)C(F)(F)F)O)CC=CCCCC(=O)O

Isomeric SMILES

CC(=O)C(CCCC(COC1=CC=CC(=C1)C(F)(F)F)O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C22H29F3O5/c1-16(26)17(8-4-2-3-5-13-21(28)29)9-6-11-19(27)15-30-20-12-7-10-18(14-20)22(23,24)25/h2,4,7,10,12,14,17,19,27H,3,5-6,8-9,11,13,15H2,1H3,(H,28,29)/b4-2+