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1624262-57-2 | Sodium 1-((4-iodobenzoyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate
CAS No: 1624262-57-2 Catalog No: AG003LKP MDL No:
Product Description
Catalog Number:
AG003LKP
Chemical Name:
Sodium 1-((4-iodobenzoyl)oxy)-2,5-dioxopyrrolidine-3-sulfonate
CAS Number:
1624262-57-2
Molecular Formula:
C11H7INNaO7S
Molecular Weight:
447.1350
IUPAC Name:
sodium;1-(4-iodobenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonate
InChI:
InChI=1S/C11H8INO7S.Na/c12-7-3-1-6(2-4-7)11(16)20-13-9(14)5-8(10(13)15)21(17,18)19;/h1-4,8H,5H2,(H,17,18,19);/q;+1/p-1
InChI Key:
ADZSNNOAROHDRL-UHFFFAOYSA-M
SMILES:
Ic1ccc(cc1)C(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.889g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.131g/mol
Monoisotopic Mass:
446.889g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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