(E)-8-ethanoyl-13-(4-fluoranylphenoxy)-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-8-ethanoyl-13-(4-fluoranylphenoxy)-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-tridec-5-enoic acid CAS Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-5-tridecenoic acid IUPAC Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxytridec-5-enoic acid Traditional Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-tridec-5-enoic acid Formula: C21H29FO5 MolecularWeight: 380.450363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FO5/c1-16(23)17(7-4-2-3-5-10-21(25)26)8-6-9-19(24)15-27-20-13-11-18(22)12-14-20/h2,4,11-14,17,19,24H,3,5-10,15H2,1H3,(H,25,26)/b4-2+