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127820-38-6 | Sulfonium, tris(4-methylphenyl)-, trifluoromethanesulfonate (1:1)
CAS No: 127820-38-6 Catalog No: AG000XFG MDL No:MFCD06797188
Product Description
Catalog Number:
AG000XFG
Chemical Name:
Sulfonium, tris(4-methylphenyl)-, trifluoromethanesulfonate (1:1)
CAS Number:
127820-38-6
Molecular Formula:
C22H21F3O3S2
Molecular Weight:
454.5255
MDL Number:
MFCD06797188
IUPAC Name:
trifluoromethanesulfonate;tris(4-methylphenyl)sulfanium
InChI:
InChI=1S/C21H21S.CHF3O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2-1(3,4)8(5,6)7/h4-15H,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key:
ZZJNLOGMYQURDL-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.Cc1ccc(cc1)[S+](c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.088g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.522g/mol
Monoisotopic Mass:
454.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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