8-fluoranyl-10-icosan-9-yl-11-octyl-9-oxidanyl-docosane-7,8,9-tricarboxylate

Systemtic Name: 8-fluoranyl-10-icosan-9-yl-11-octyl-9-oxidanyl-docosane-7,8,9-tricarboxylate Openeye Name: 8-fluoro-9-hydroxy-11-octyl-10-(1-octyldodecyl)docosane-7,8,9-tricarboxylate CAS Name: 10-eicosan-9-yl-8-fluoro-9-hydroxy-11-octyldocosane-7,8,9-tricarboxylate IUPAC Name: 8-fluoro-9-hydroxy-10-icosan-9-yl-11-octyldocosane-7,8,9-tricarboxylate Traditional Name: 8-fluoro-9-hydroxy-11-octyl-10-(1-octyldodecyl)docosane-7,8,9-tricarboxylate Formula: C53H98FO7-3 MolecularWeight: 866.339423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)C(C(CCCCCCCC)CCCCCCCCCCC)(C(=O)[O-])C(C(=O)[O-])(C(CCCCCCC)(C(=O)[O-])F)O

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)C(C(CCCCCCCC)CCCCCCCCCCC)(C(=O)[O-])C(C(=O)[O-])(C(CCCCCCC)(C(=O)[O-])F)O

InChI

InChI=1S/C53H101FO7/c1-6-11-16-21-25-27-29-33-38-43-46(41-36-31-23-18-13-8-3)52(49(57)58,53(61,50(59)60)51(54,48(55)56)45-40-35-20-15-10-5)47(42-37-32-24-19-14-9-4)44-39-34-30-28-26-22-17-12-7-2/h46-47,61H,6-45H2,1-5H3,(H,55,56)(H,57,58)(H,59,60)/p-3