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202070-88-0 | Pyridinium, 4,4'-[1,3-propanediylbis(thio)]bis[1-decyl-, diiodide (9CI)
CAS No: 202070-88-0 Catalog No: AG002819 MDL No:
Product Description
Catalog Number:
AG002819
Chemical Name:
Pyridinium, 4,4'-[1,3-propanediylbis(thio)]bis[1-decyl-, diiodide (9CI)
CAS Number:
202070-88-0
Molecular Formula:
C33H56I2N2S2
Molecular Weight:
798.7501
IUPAC Name:
1-decyl-4-[3-(1-decylpyridin-1-ium-4-yl)sulfanylpropylsulfanyl]pyridin-1-ium;diiodide
InChI:
InChI=1S/C33H56N2S2.2HI/c1-3-5-7-9-11-13-15-17-24-34-26-20-32(21-27-34)36-30-19-31-37-33-22-28-35(29-23-33)25-18-16-14-12-10-8-6-4-2;;/h20-23,26-29H,3-19,24-25,30-31H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
HSFRDQAYZHXGSD-UHFFFAOYSA-L
SMILES:
CCCCCCCCCC[n+]1ccc(cc1)SCCCSc1cc[n+](cc1)CCCCCCCCCC.[I-].[I-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
798.197g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
798.754g/mol
Monoisotopic Mass:
798.197g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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