56927-83-4
BIS[3-(1H,1H,2H,2H-PERFLUOROOCTYLTHIO)PROPYL]FUMARATE
NameBIS[3-(1H,1H,2H,2H-PERFLUOROOCTYLTHIO)PROPYL]FUMARATE
pro_formulaC26 H22 F26 O4 S2
1Identification
【Name】
BIS[3-(1H,1H,2H,2H-PERFLUOROOCTYLTHIO)PROPYL]FUMARATE
【CAS】
【MDL】
MFCD01320740
【中文同义词】
【EnglishSynonyms】
BIS(7,7,8,8,9,9,10,10,11,11,12,12,12-TRIDECAFLUORO-4-THIADODECYL)FUMARATE
【pro_formula】
C26 H22 F26 O4 S2
【pro_molWeight】
956.536
【Inchi】
InChI=1S/C26H22F26O4S2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)5-11-57-9-1-7-55-13(53)3-4-14(54)56-8-2-10-58-12-6-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h3-4H,1-2,5-12H2/b4-3+
【InChIKey】
InChIKey=TYMGDYKDZSSLJM-ONEGZZNKSA-N
【SMILES】
C(COC(=O)/C=C/C(=O)OCCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
【MOL File】
BIS[3-(1H,1H,2H,2H-P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:15.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BIS[3-(1H,1H,2H,2H-PERFLUOROOCTYLTHIO)PROPYL]FUMARATE.cml