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89037-85-4 | Iodonium, bis(4-dodecylphenyl)-, sulfate (1:1)
CAS No: 89037-85-4 Catalog No: AG0087YK MDL No:
Product Description
Catalog Number:
AG0087YK
Chemical Name:
Iodonium, bis(4-dodecylphenyl)-, sulfate (1:1)
CAS Number:
89037-85-4
Molecular Formula:
C36H59IO4S
Molecular Weight:
714.8207
IUPAC Name:
bis(4-dodecylphenyl)iodanium;hydrogen sulfate
InChI:
InChI=1S/C36H58I.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)37-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h25-32H,3-24H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
YBOILTBKWXRDEE-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CCCCCCCCCCCCc1ccc(cc1)[I+]c1ccc(cc1)CCCCCCCCCCCC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
714.318g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
714.828g/mol
Monoisotopic Mass:
714.318g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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