632-01-9
2,2,3,3,4,4-HEXAFLUOROPENTANE-1,5-DIYL BIS(4-METHYLBENZENESULFONATE)
Name2,2,3,3,4,4-HEXAFLUOROPENTANE-1,5-DIYL BIS(4-METHYLBENZENESULFONATE)
pro_formulaC19 H18 F6 O6 S2
1Identification
【Name】
2,2,3,3,4,4-HEXAFLUOROPENTANE-1,5-DIYL BIS(4-METHYLBENZENESULFONATE)
【CAS】
【MDL】
MFCD00054677
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H18 F6 O6 S2
【pro_molWeight】
520.465
【Inchi】
InChI=1S/C19H18F6O6S2/c1-13-3-7-15(8-4-13)32(26,27)30-11-17(20,21)19(24,25)18(22,23)12-31-33(28,29)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
【InChIKey】
InChIKey=LWISLGXGKZSROX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)OCC(C(C(COS(=O)(=O)c2ccc(cc2)C)(F)F)(F)F)(F)F
【MOL File】
2,2,3,3,4,4-HEXAFLUO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2,2,3,3,4,4-HEXAFLUOROPENTANE-1,5-DIYL BIS(4-METHYLBENZENESULFONATE).cml