200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 180801-55-2
180801-55-2 | Sulfonium, [4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]phenyl]diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 180801-55-2 Catalog No: AG0022D9 MDL No:
Product Description
Catalog Number:
AG0022D9
Chemical Name:
Sulfonium, [4-[2-(1,1-dimethylethoxy)-2-oxoethoxy]phenyl]diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
180801-55-2
Molecular Formula:
C25H25F3O6S2
Molecular Weight:
542.5876
IUPAC Name:
[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;trifluoromethanesulfonate
InChI:
InChI=1S/C24H25O3S.CHF3O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;2-1(3,4)8(5,6)7/h4-17H,18H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key:
KMJCYKNSIKZQFX-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.O=C(OC(C)(C)C)COc1ccc(cc1)[S+](c1ccccc1)c1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.104g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.584g/mol
Monoisotopic Mass:
542.104g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.