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34328-00-2 | 3(2H)-Benzoxazolepropanesulfonic acid, 2-[[3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene]ethylidene]-, monosodium salt
CAS No: 34328-00-2 Catalog No: AG00CWHQ MDL No:
Product Description
Catalog Number:
AG00CWHQ
Chemical Name:
3(2H)-Benzoxazolepropanesulfonic acid, 2-[[3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene]ethylidene]-, monosodium salt
CAS Number:
34328-00-2
IUPAC Name:
sodium;3-[(2E)-2-[(2E)-2-[3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
InChI:
InChI=1S/C23H23N3O6S2.Na/c27-15-14-25-19(22(28)26(23(25)33)17-7-2-1-3-8-17)11-12-21-24(13-6-16-34(29,30)31)18-9-4-5-10-20(18)32-21;/h1-5,7-12,27H,6,13-16H2,(H,29,30,31);/q;+1/p-1/b19-11+,21-12+;
InChI Key:
CMKGDUPYPXXDAC-JJQRAXEFSA-M
Properties
Complexity:
945
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
523.085g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
523.554g/mol
Monoisotopic Mass:
523.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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