13-[2,3-bis(fluoranyl)phenoxy]-8-ethanoyl-12-oxidanyl-tridec-5-ynoic acid

Systemtic Name: 13-[2,3-bis(fluoranyl)phenoxy]-8-ethanoyl-12-oxidanyl-tridec-5-ynoic acid Openeye Name: 8-acetyl-13-(2,3-difluorophenoxy)-12-hydroxy-tridec-5-ynoic acid CAS Name: 8-acetyl-13-(2,3-difluorophenoxy)-12-hydroxy-5-tridecynoic acid IUPAC Name: 8-acetyl-13-(2,3-difluorophenoxy)-12-hydroxytridec-5-ynoic acid Traditional Name: 8-acetyl-13-(2,3-difluorophenoxy)-12-hydroxy-tridec-5-ynoic acid Formula: C21H26F2O5 MolecularWeight: 396.424946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26F2O5/c1-15(24)16(8-4-2-3-5-13-20(26)27)9-6-10-17(25)14-28-19-12-7-11-18(22)21(19)23/h7,11-12,16-17,25H,3,5-6,8-10,13-14H2,1H3,(H,26,27)