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

Systemtic Name: 8-ethanoyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridec-5-ynoic acid Openeye Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridec-5-ynoic acid CAS Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]-5-tridecynoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridec-5-ynoic acid Traditional Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridec-5-ynoic acid Formula: C22H27F3O5 MolecularWeight: 428.44199

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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)CC#CCCCC(=O)O

InChI

InChI=1S/C22H27F3O5/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/h7,10,12,14,17,19,27H,3,5-6,8-9,11,13,15H2,1H3,(H,28,29)