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116808-67-4 | Sulfonium, (4-methoxyphenyl)diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS No: 116808-67-4 Catalog No: AG000D8O MDL No:
Product Description
Catalog Number:
AG000D8O
Chemical Name:
Sulfonium, (4-methoxyphenyl)diphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CAS Number:
116808-67-4
Molecular Formula:
C20H17F3O4S2
Molecular Weight:
442.4718
IUPAC Name:
(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate
InChI:
InChI=1S/C19H17OS.CHF3O3S/c1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2-1(3,4)8(5,6)7/h2-15H,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
WBUSZOLVSDXDOC-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.COc1ccc(cc1)[S+](c1ccccc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.052g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.467g/mol
Monoisotopic Mass:
442.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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