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142342-33-4 | 4,4''-Di-tert-butyldiphenyliodonium p-toluenesulfonate
CAS No: 142342-33-4 Catalog No: AG007JX4 MDL No:
Product Description
Catalog Number:
AG007JX4
Chemical Name:
4,4''-Di-tert-butyldiphenyliodonium p-toluenesulfonate
CAS Number:
142342-33-4
Molecular Formula:
C27H33IO3S
Molecular Weight:
564.5186
IUPAC Name:
bis(4-tert-butylphenyl)iodanium;4-methylbenzenesulfonate
InChI:
InChI=1S/C20H26I.C7H8O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-14H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
UEJFJTOGXLEPIV-UHFFFAOYSA-M
SMILES:
CC(c1ccc(cc1)[I+]c1ccc(cc1)C(C)(C)C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
564.12g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
564.522g/mol
Monoisotopic Mass:
564.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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