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258342-09-5 | Iodonium, bis[4-(1,1-dimethylpropyl)phenyl]-, sulfate (2:1)
CAS No: 258342-09-5 Catalog No: AG007NLG MDL No:
Product Description
Catalog Number:
AG007NLG
Chemical Name:
Iodonium, bis[4-(1,1-dimethylpropyl)phenyl]-, sulfate (2:1)
CAS Number:
258342-09-5
Molecular Formula:
C44H60I2O4S
Molecular Weight:
938.8187
IUPAC Name:
bis[4-(2-methylbutan-2-yl)phenyl]iodanium;sulfate
InChI:
InChI=1S/2C22H30I.H2O4S/c2*1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-5(2,3)4/h2*9-16H,7-8H2,1-6H3;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key:
MZEQSKIERLUBQT-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)[O-].CCC(c1ccc(cc1)[I+]c1ccc(cc1)C(CC)(C)C)(C)C.CCC(c1ccc(cc1)[I+]c1ccc(cc1)C(CC)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
938.23g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
938.829g/mol
Monoisotopic Mass:
938.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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