857285-80-4
TERT-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY]ACETATE, NONAFLATE SALT
NameTERT-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY]ACETATE, NONAFLATE SALT
FormulaC24 H25 O3 S . C4 F9 O3 S
1Identification
【Name】
TERT-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY]ACETATE, NONAFLATE SALT
【CAS】
【MDL】
MFCD04038890
【English Synonyms】
【Formula】
C24 H25 O3 S . C4 F9 O3 S
【MolWeight】
692.614
【Inchi】
InChI=1S/C24H25O3S.C4HF9O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-17H,18H2,1-3H3;(H,14,15,16)/q+1;/p-1
【InChIKey】
InChIKey=QGJXWNMBTQGAFT-UHFFFAOYSA-M
【SMILES】
CC(C)(C)OC(=O)COc1ccc(cc1)[S+](c2ccccc2)c3ccccc3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
【MOL File】
TERT-BUTYL 2-[4-(DIP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 2-[4-(DIPHENYLSULPHONIUM)PHENOXY]ACETATE, NONAFLATE SALT.cml