11,12-Bis[N-(i-propyl)-1H-benzimidazolium-3-methylene]-9,10-dihydro-9,10-ethanoanthracene bis(trifluoromethanesulfonate)

Catalog Number	ACM958004121-1
CAS	958004-12-1
Structure
Synonyms	1-Propan-2-yl-3-[[16-[(3-propan-2-ylbenzimidazol-1-ium-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzimidazol-3-ium trifluoromethanesulfonate
IUPAC Name	1-propan-2-yl-3-[[16-[(3-propan-2-ylbenzimidazol-1-ium-1-yl)methyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzimidazol-3-ium;trifluoromethanesulfonate
Molecular Weight	846.86
Molecular Formula	C40H36F6N4O6S2
InChI	DLFURDTTZFUCIY-UHFFFAOYSA-L
InChI Key	InChI=1S/C38H40N4.2CHF3O3S/c1-25(2)41-23-39(33-17-9-11-19-35(33)41)21-31-32(22-40-24-42(26(3)4)36-20-12-10-18-34(36)40)38-29-15-7-5-13-27(29)37(31)28-14-6-8-16-30(28)38;2*2-1(3,4)8(5,6)7/h5-20,23-26,31-32,37-38H,21-22H2,1-4H3;2*(H,5,6,7)/q+2;;/p-2
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C)N1C=[N+](C2=CC=CC=C21)CC3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C[N+]7=CN(C8=CC=CC=C87)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]