(E)-8-ethanoyl-13-(4-fluoranylphenoxy)-12-oxidanyl-tridec-10-en-5-ynoic acid

Systemtic Name: (E)-8-ethanoyl-13-(4-fluoranylphenoxy)-12-oxidanyl-tridec-10-en-5-ynoic acid Openeye Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-tridec-10-en-5-ynoic acid CAS Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxytridec-10-en-5-ynoic acid IUPAC Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxytridec-10-en-5-ynoic acid Traditional Name: (E)-8-acetyl-13-(4-fluorophenoxy)-12-hydroxy-tridec-10-en-5-ynoic acid Formula: C21H25FO5 MolecularWeight: 376.418603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FO5/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/h6,9,11-14,17,19,24H,3,5,7-8,10,15H2,1H3,(H,25,26)/b9-6+