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17852-69-6 | Quinolinium, 1-ethyl-6-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-, inner salt (9CI)
CAS No: 17852-69-6 Catalog No: AG00264X MDL No:
Product Description
Catalog Number:
AG00264X
Chemical Name:
Quinolinium, 1-ethyl-6-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-, inner salt (9CI)
CAS Number:
17852-69-6
IUPAC Name:
3-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazol-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C24H26N2O5SSe/c1-4-25-18(7-6-17-14-19(30-2)8-10-21(17)25)15-24-26(12-5-13-32(27,28)29)22-16-20(31-3)9-11-23(22)33-24/h6-11,14-16H,4-5,12-13H2,1-3H3
InChI Key:
TULGBBGFVMDUFF-UHFFFAOYSA-N
EC Number:
241-805-9
Properties
Complexity:
775
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.073g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
533.512g/mol
Monoisotopic Mass:
534.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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