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63815-75-8 | 1-benzyl-6-methoxy-2-[[3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
CAS No: 63815-75-8 Catalog No: AG00EOY0 MDL No:
Product Description
Catalog Number:
AG00EOY0
Chemical Name:
1-benzyl-6-methoxy-2-[[3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
CAS Number:
63815-75-8
IUPAC Name:
4-[2-[(1-benzyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonate
InChI:
InChI=1S/C29H28N2O4SSe/c1-35-25-15-16-26-23(19-25)13-14-24(31(26)21-22-9-3-2-4-10-22)20-29-30(17-7-8-18-36(32,33)34)27-11-5-6-12-28(27)37-29/h2-6,9-16,19-20H,7-8,17-18,21H2,1H3
InChI Key:
ZTHVSASDZJTOBJ-UHFFFAOYSA-N
EC Number:
264-475-8
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.094g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.584g/mol
Monoisotopic Mass:
580.094g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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