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68254-31-9 | 1,4-Diazoniabicyclo[2.2.2]octane, 1,4-dioctadecyl-, diiodide
CAS No: 68254-31-9 Catalog No: AG005XHC MDL No:
Product Description
Catalog Number:
AG005XHC
Chemical Name:
1,4-Diazoniabicyclo[2.2.2]octane, 1,4-dioctadecyl-, diiodide
CAS Number:
68254-31-9
Molecular Formula:
C42H86I2N2
Molecular Weight:
872.9546
IUPAC Name:
1,4-dioctadecyl-1,4-diazoniabicyclo[2.2.2]octane;diiodide
InChI:
InChI=1S/C42H86N2.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-37-40-44(41-38-43,42-39-43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h3-42H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
JZTVFRILPDLASR-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCCCCCCCCCCCCCCCCC.[I-].[I-]
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
872.488g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
872.973g/mol
Monoisotopic Mass:
872.488g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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