methyl (9S,10S)-9-fluoranyl-10-oxidanyl-octadecanoate; methyl (9S,10S)-10-fluoranyl-9-oxidanyl-octadecanoate

Systemtic Name: methyl (9S,10S)-9-fluoranyl-10-oxidanyl-octadecanoate; methyl (9S,10S)-10-fluoranyl-9-oxidanyl-octadecanoate Openeye Name: methyl (9S,10S)-9-fluoro-10-hydroxy-octadecanoate; methyl (9S,10S)-10-fluoro-9-hydroxy-octadecanoate CAS Name: (9S,10S)-9-fluoro-10-hydroxyoctadecanoic acid methyl ester; (9S,10S)-10-fluoro-9-hydroxyoctadecanoic acid methyl ester IUPAC Name: methyl (9S,10S)-9-fluoro-10-hydroxyoctadecanoate; methyl (9S,10S)-10-fluoro-9-hydroxyoctadecanoate Traditional Name: (9S,10S)-9-fluoro-10-hydroxy-stearic acid methyl ester; (9S,10S)-10-fluoro-9-hydroxy-stearic acid methyl ester Formula: C38H74F2O6 MolecularWeight: 664.987366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)OC)F)O.CCCCCCCCC(C(CCCCCCCC(=O)OC)O)F

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)OC)F)O.CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)OC)O)F

InChI

InChI=1S/2C19H37FO3/c1-3-4-5-6-9-12-15-18(21)17(20)14-11-8-7-10-13-16-19(22)23-2;1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h2*17-18,21H,3-16H2,1-2H3/t2*17-,18-/m00/s1