97248-77-6
(E)-4-(2-(4-CHLOROPHENYL)ETHENYL-2,6-BIS(1,1-DIMETHYLETHYL)PYRRILIUM TRIFLATE SALT
Name
(E)-4-(2-(4-CHLOROPHENYL)ETHENYL-2,6-BIS(1,1-DIMETHYLETHYL)PYRRILIUM TRIFLATE SALT
Formula
C21 H26 Cl O . C F3 O3 S
MolWeight
478.956
1Identification
【Name】
(E)-4-(2-(4-CHLOROPHENYL)ETHENYL-2,6-BIS(1,1-DIMETHYLETHYL)PYRRILIUM TRIFLATE SALT
【CAS】
【MDL】
MFCD03411748
【English Synonyms】
【Formula】
C21 H26 Cl O . C F3 O3 S
【MolWeight】
478.956
【Inchi】
InChI=1S/C21H26ClO.CHF3O3S/c1-20(2,3)18-13-16(14-19(23-18)21(4,5)6)8-7-15-9-11-17(22)12-10-15;2-1(3,4)8(5,6)7/h7-14H,1-6H3;(H,5,6,7)/q+1;/p-1/b8-7+;
【InChIKey】
InChIKey=YBPVBOSVARHFRO-USRGLUTNSA-M
【SMILES】
CC(C)(C)c1cc(cc([o+]1)C(C)(C)C)/C=C/c2ccc(cc2)Cl.C(F)(F)(F)S(=O)(=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:0.0
Bulk/Fine:F