8,8,8-tris(fluoranyl)octyl 3-sulfooxybutanoate

Systemtic Name: 8,8,8-tris(fluoranyl)octyl 3-sulfooxybutanoate Openeye Name: 8,8,8-trifluorooctyl 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid 8,8,8-trifluorooctyl ester IUPAC Name: 8,8,8-trifluorooctyl 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid 8,8,8-trifluorooctyl ester Formula: C12H21F3O6S MolecularWeight: 350.35175

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCCCCCCCC(F)(F)F)OS(=O)(=O)O

Isomeric SMILES

CC(CC(=O)OCCCCCCCC(F)(F)F)OS(=O)(=O)O

InChI

InChI=1S/C12H21F3O6S/c1-10(21-22(17,18)19)9-11(16)20-8-6-4-2-3-5-7-12(13,14)15/h10H,2-9H2,1H3,(H,17,18,19)