97248-78-7
(E)-2,6-BIS(1,1-DIMETHYLETHYL)-4-(2-PHENYLETHENYL)PYRILIUM TRIFLATE SALT
Name(E)-2,6-BIS(1,1-DIMETHYLETHYL)-4-(2-PHENYLETHENYL)PYRILIUM TRIFLATE SALT
FormulaC21 H27 O . C F3 O3 S
1Identification
【Name】
(E)-2,6-BIS(1,1-DIMETHYLETHYL)-4-(2-PHENYLETHENYL)PYRILIUM TRIFLATE SALT
【CAS】
【MDL】
MFCD03411768
【English Synonyms】
【Formula】
C21 H27 O . C F3 O3 S
【MolWeight】
444.511
【Inchi】
InChI=1S/C21H27O.CHF3O3S/c1-20(2,3)18-14-17(15-19(22-18)21(4,5)6)13-12-16-10-8-7-9-11-16;2-1(3,4)8(5,6)7/h7-15H,1-6H3;(H,5,6,7)/q+1;/p-1/b13-12+;
【InChIKey】
InChIKey=ISPBGQVETLTQJU-UEIGIMKUSA-M
【SMILES】
CC(C)(C)c1cc(cc([o+]1)C(C)(C)C)/C=C/c2ccccc2.C(F)(F)(F)S(=O)(=O)[O-]
【MOL File】
(E)-2,6-BIS(1,1-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-2,6-BIS(1,1-DIMETHYLETHYL)-4-(2-PHENYLETHENYL)PYRILIUM TRIFLATE SALT.cml