3-(1-fluoranylheptoxycarbonyl)-5-(9-octylicosan-9-yloxy)-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-(1-fluoranylheptoxycarbonyl)-5-(9-octylicosan-9-yloxy)-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,1-dioctyldodecoxy)-3-(1-fluoroheptoxycarbonyl)-3-hydroxy-5-oxo-pentanoic acid CAS Name: 3-[1-fluoroheptoxy(oxo)methyl]-3-hydroxy-5-(9-octyleicosan-9-yloxy)-5-oxopentanoic acid IUPAC Name: 3-(1-fluoroheptoxycarbonyl)-3-hydroxy-5-(9-octylicosan-9-yloxy)-5-oxopentanoic acid Traditional Name: 5-(1,1-dioctyldodecoxy)-3-(1-fluoroheptoxycarbonyl)-3-hydroxy-5-keto-valeric acid Formula: C41H77FO7 MolecularWeight: 701.044283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)CC(CC(=O)O)(C(=O)OC(CCCCCC)F)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)CC(CC(=O)O)(C(=O)OC(CCCCCC)F)O

InChI

InChI=1S/C41H77FO7/c1-5-9-13-17-20-21-22-25-29-33-40(31-27-23-18-14-10-6-2,32-28-24-19-15-11-7-3)49-38(45)35-41(47,34-37(43)44)39(46)48-36(42)30-26-16-12-8-4/h36,47H,5-35H2,1-4H3,(H,43,44)