8-ethanoyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid

Systemtic Name: 8-ethanoyl-12-oxidanyl-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid Openeye Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid CAS Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid Traditional Name: 8-acetyl-12-hydroxy-13-[3-(trifluoromethyl)phenoxy]tridecanoic acid Formula: C22H31F3O5 MolecularWeight: 432.47375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31F3O5/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,2-6,8-9,11,13,15H2,1H3,(H,28,29)