[1,1,1,4,4,4-hexakis(fluoranyl)-3-methoxy-2,3-bis(trifluoromethyl)butan-2-yl] piperidine-1-sulfonate

Systemtic Name: [1,1,1,4,4,4-hexakis(fluoranyl)-3-methoxy-2,3-bis(trifluoromethyl)butan-2-yl] piperidine-1-sulfonate Openeye Name: [3,3,3-trifluoro-2-methoxy-1,1,2-tris(trifluoromethyl)propyl] piperidine-1-sulfonate CAS Name: 1-piperidinesulfonic acid [1,1,1,4,4,4-hexafluoro-3-methoxy-2,3-bis(trifluoromethyl)butan-2-yl] ester IUPAC Name: [1,1,1,4,4,4-hexafluoro-3-methoxy-2,3-bis(trifluoromethyl)butan-2-yl] piperidine-1-sulfonate Traditional Name: piperidine-1-sulfonic acid [3,3,3-trifluoro-2-methoxy-1,1,2-tris(trifluoromethyl)propyl] ester Formula: C12H13F12NO4S MolecularWeight: 495.281758

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H13F12NO4S/c1-28-7(9(13,14)15,10(16,17)18)8(11(19,20)21,12(22,23)24)29-30(26,27)25-5-3-2-4-6-25/h2-6H2,1H3