methyl (5S,7S,8E,10E,14E,16S)-17-(4-fluoranylphenoxy)-5,7,16-tris(oxidanyl)heptadeca-8,10,14-trien-12-ynoate

Systemtic Name: methyl (5S,7S,8E,10E,14E,16S)-17-(4-fluoranylphenoxy)-5,7,16-tris(oxidanyl)heptadeca-8,10,14-trien-12-ynoate Openeye Name: methyl (5S,7S,8E,10E,14E,16S)-17-(4-fluorophenoxy)-5,7,16-trihydroxy-heptadeca-8,10,14-trien-12-ynoate CAS Name: (5S,7S,8E,10E,14E,16S)-17-(4-fluorophenoxy)-5,7,16-trihydroxyheptadeca-8,10,14-trien-12-ynoic acid methyl ester IUPAC Name: methyl (5S,7S,8E,10E,14E,16S)-17-(4-fluorophenoxy)-5,7,16-trihydroxyheptadeca-8,10,14-trien-12-ynoate Traditional Name: (5S,7S,8E,10E,14E,16S)-17-(4-fluorophenoxy)-5,7,16-trihydroxy-heptadeca-8,10,14-trien-12-ynoic acid methyl ester Formula: C24H29FO6 MolecularWeight: 432.481863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CCC[C@@H](C[C@@H](/C=C/C=C/C#C/C=C/[C@@H](COC1=CC=C(C=C1)F)O)O)O

InChI

InChI=1S/C24H29FO6/c1-30-24(29)12-8-11-21(27)17-20(26)9-6-4-2-3-5-7-10-22(28)18-31-23-15-13-19(25)14-16-23/h2,4,6-7,9-10,13-16,20-22,26-28H,8,11-12,17-18H2,1H3/b4-2+,9-6+,10-7+/t20-,21+,22+/m1/s1