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202071-11-2 | Pyridinium, 4,4'-[(1,10-decanediyl)bis(thio)]bis[1-octyl-, iodide (1:2)
CAS No: 202071-11-2 Catalog No: AG002817 MDL No:
Product Description
Catalog Number:
AG002817
Chemical Name:
Pyridinium, 4,4'-[(1,10-decanediyl)bis(thio)]bis[1-octyl-, iodide (1:2)
CAS Number:
202071-11-2
Molecular Formula:
C36H62I2N2S2
Molecular Weight:
840.8298
IUPAC Name:
1-octyl-4-[10-(1-octylpyridin-1-ium-4-yl)sulfanyldecylsulfanyl]pyridin-1-ium;diiodide
InChI:
InChI=1S/C36H62N2S2.2HI/c1-3-5-7-9-15-19-27-37-29-23-35(24-30-37)39-33-21-17-13-11-12-14-18-22-34-40-36-25-31-38(32-26-36)28-20-16-10-8-6-4-2;;/h23-26,29-32H,3-22,27-28,33-34H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
ZPJKLBWSNIPPDT-UHFFFAOYSA-L
SMILES:
CCCCCCCC[n+]1ccc(cc1)SCCCCCCCCCCSc1cc[n+](cc1)CCCCCCCC.[I-].[I-]
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
840.244g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
840.835g/mol
Monoisotopic Mass:
840.244g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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