8,8,8-tris(fluoranyl)octyl 2-sulfooxyoctanoate

Systemtic Name: 8,8,8-tris(fluoranyl)octyl 2-sulfooxyoctanoate Openeye Name: 8,8,8-trifluorooctyl 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid 8,8,8-trifluorooctyl ester IUPAC Name: 8,8,8-trifluorooctyl 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid 8,8,8-trifluorooctyl ester Formula: C16H29F3O6S MolecularWeight: 406.45807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCCCCCCCC(F)(F)F)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCCCCCCCC(F)(F)F)OS(=O)(=O)O

InChI

InChI=1S/C16H29F3O6S/c1-2-3-4-8-11-14(25-26(21,22)23)15(20)24-13-10-7-5-6-9-12-16(17,18)19/h14H,2-13H2,1H3,(H,21,22,23)