4-fluoranyloctane; (2-oxidanyl-1-sulfooxy-undecyl) hydrogen sulfate

Systemtic Name: 4-fluoranyloctane; (2-oxidanyl-1-sulfooxy-undecyl) hydrogen sulfate Openeye Name: 4-fluorooctane; (2-hydroxy-1-sulfooxy-undecyl) hydrogen sulfate CAS Name: 4-fluorooctane; sulfuric acid (2-hydroxy-1-sulfooxyundecyl) ester IUPAC Name: 4-fluorooctane; (2-hydroxy-1-sulfooxyundecyl) hydrogen sulfate Traditional Name: 4-fluorooctane; sulfuric acid (2-hydroxy-1-sulfoxy-undecyl) ester Formula: C19H41FO9S2 MolecularWeight: 496.651843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(OS(=O)(=O)O)OS(=O)(=O)O)O.CCCCC(CCC)F

Isomeric SMILES

CCCCCCCCCC(C(OS(=O)(=O)O)OS(=O)(=O)O)O.CCCCC(CCC)F

InChI

InChI=1S/C11H24O9S2.C8H17F/c1-2-3-4-5-6-7-8-9-10(12)11(19-21(13,14)15)20-22(16,17)18;1-3-5-7-8(9)6-4-2/h10-12H,2-9H2,1H3,(H,13,14,15)(H,16,17,18);8H,3-7H2,1-2H3