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182683-45-0 | Pyridinium, 4,4'-(1,8-naphthalenediyl)bis[1,2-dimethyl-, diiodide (9CI)
CAS No: 182683-45-0 Catalog No: AG00241O MDL No:
Product Description
Catalog Number:
AG00241O
Chemical Name:
Pyridinium, 4,4'-(1,8-naphthalenediyl)bis[1,2-dimethyl-, diiodide (9CI)
CAS Number:
182683-45-0
Molecular Formula:
C24H24I2N2
Molecular Weight:
594.2697
IUPAC Name:
4-[8-(1,2-dimethylpyridin-1-ium-4-yl)naphthalen-1-yl]-1,2-dimethylpyridin-1-ium;diiodide
InChI:
InChI=1S/C24H24N2.2HI/c1-17-15-20(11-13-25(17)3)22-9-5-7-19-8-6-10-23(24(19)22)21-12-14-26(4)18(2)16-21;;/h5-16H,1-4H3;2*1H/q+2;;/p-2
InChI Key:
LYMXAHYESYBKCP-UHFFFAOYSA-L
SMILES:
C[n+]1ccc(cc1C)c1cccc2c1c(ccc2)c1cc[n+](c(c1)C)C.[I-].[I-]
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.003g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.279g/mol
Monoisotopic Mass:
594.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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