Catalog Number:
AG008GTU
Chemical Name:
2-(ETHOXYCARBONYL)-4,6-DIPHENYLPYRANIUM TRIFLUOROMETHANESULFONATE
CAS Number:
85056-65-1
Molecular Formula:
C21H17F3O6S
Molecular Weight:
454.4163
MDL Number:
MFCD00051895
IUPAC Name:
ethyl 4,6-diphenylpyrylium-2-carboxylate;trifluoromethanesulfonate
InChI:
InChI=1S/C20H17O3.CHF3O3S/c1-2-22-20(21)19-14-17(15-9-5-3-6-10-15)13-18(23-19)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-14H,2H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
PPKMWORCAQVUCI-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)C(F)(F)F.CCOC(=O)c1cc(cc([o+]1)c1ccccc1)c1ccccc1
