3-(1-fluoranylheptoxycarbonyl)-5-icosan-9-yloxy-3-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 3-(1-fluoranylheptoxycarbonyl)-5-icosan-9-yloxy-3-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 3-(1-fluoroheptoxycarbonyl)-3-hydroxy-5-(1-octyldodecoxy)-5-oxo-pentanoate CAS Name: 5-eicosan-9-yloxy-3-[1-fluoroheptoxy(oxo)methyl]-3-hydroxy-5-oxopentanoate IUPAC Name: 3-(1-fluoroheptoxycarbonyl)-3-hydroxy-5-icosan-9-yloxy-5-oxopentanoate Traditional Name: 3-(1-fluoroheptoxycarbonyl)-3-hydroxy-5-keto-5-(1-octyldodecoxy)valerate Formula: C33H60FO7- MolecularWeight: 587.823703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CC(CC(=O)[O-])(C(=O)OC(CCCCCC)F)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CC(CC(=O)[O-])(C(=O)OC(CCCCCC)F)O

InChI

InChI=1S/C33H61FO7/c1-4-7-10-13-15-16-17-19-21-24-28(23-20-18-14-11-8-5-2)40-31(37)27-33(39,26-30(35)36)32(38)41-29(34)25-22-12-9-6-3/h28-29,39H,4-27H2,1-3H3,(H,35,36)/p-1