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34276-89-6 | 1-ethyl-2-[[3-(4-sulphonatobutyl)-2-benzoselenazolinylidene]methyl]quinolinium
CAS No: 34276-89-6 Catalog No: AG00CULR MDL No:
Product Description
Catalog Number:
AG00CULR
Chemical Name:
1-ethyl-2-[[3-(4-sulphonatobutyl)-2-benzoselenazolinylidene]methyl]quinolinium
CAS Number:
34276-89-6
IUPAC Name:
4-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate
InChI:
InChI=1S/C23H24N2O3SSe/c1-2-24-19(14-13-18-9-3-4-10-20(18)24)17-23-25(15-7-8-16-29(26,27)28)21-11-5-6-12-22(21)30-23/h3-6,9-14,17H,2,7-8,15-16H2,1H3
InChI Key:
AKPSQBFCZQWVKQ-UHFFFAOYSA-N
EC Number:
251-912-2
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
488.067g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.487g/mol
Monoisotopic Mass:
488.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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