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86018-79-3 | 1-Benzyl-2-(2,5-dimethylphenyl)-4,6-diphenylpyridin-1-ium trifluoromethanesulfonate
CAS No: 86018-79-3 Catalog No: AG01EXV3 MDL No:
Product Description
Catalog Number:
AG01EXV3
Chemical Name:
1-Benzyl-2-(2,5-dimethylphenyl)-4,6-diphenylpyridin-1-ium trifluoromethanesulfonate
CAS Number:
86018-79-3
Molecular Formula:
C33H28F3NO3S
Molecular Weight:
575.6405
IUPAC Name:
1-benzyl-2-(2,5-dimethylphenyl)-4,6-diphenylpyridin-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C32H28N.CHF3O3S/c1-24-18-19-25(2)30(20-24)32-22-29(27-14-8-4-9-15-27)21-31(28-16-10-5-11-17-28)33(32)23-26-12-6-3-7-13-26;2-1(3,4)8(5,6)7/h3-22H,23H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key:
FROKTTKMOUWGQT-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.Cc1ccc(c(c1)c1cc(cc([n+]1Cc1ccccc1)c1ccccc1)c1ccccc1)C
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.174g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
575.646g/mol
Monoisotopic Mass:
575.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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