8-ethanoyl-13-(2-fluoranylphenoxy)-12-oxidanyl-tridecanoic acid

Systemtic Name: 8-ethanoyl-13-(2-fluoranylphenoxy)-12-oxidanyl-tridecanoic acid Openeye Name: 8-acetyl-13-(2-fluorophenoxy)-12-hydroxy-tridecanoic acid CAS Name: 8-acetyl-13-(2-fluorophenoxy)-12-hydroxytridecanoic acid IUPAC Name: 8-acetyl-13-(2-fluorophenoxy)-12-hydroxytridecanoic acid Traditional Name: 8-acetyl-13-(2-fluorophenoxy)-12-hydroxy-tridecanoic acid Formula: C21H31FO5 MolecularWeight: 382.466243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=CC=C1F)O

Isomeric SMILES

CC(=O)C(CCCCCCC(=O)O)CCCC(COC1=CC=CC=C1F)O

InChI

InChI=1S/C21H31FO5/c1-16(23)17(9-4-2-3-5-14-21(25)26)10-8-11-18(24)15-27-20-13-7-6-12-19(20)22/h6-7,12-13,17-18,24H,2-5,8-11,14-15H2,1H3,(H,25,26)