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Home Sulfos Iron(III) 4-methylbenzenesulfonate hexahydrate

Iron(III) 4-methylbenzenesulfonate hexahydrate

CAS No.:
312619-41-3
Catalog Number:
AG007I26
Molecular Formula:
C21H33FeO15S3
Molecular Weight:
677.5177
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$40
- +
10g
95%
In Stock USA
United States
$54
- +
25g
95%
In Stock USA
United States
$87
- +
100g
95%
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG007I26
Chemical Name:
Iron(III) 4-methylbenzenesulfonate hexahydrate
CAS Number:
312619-41-3
Molecular Formula:
C21H33FeO15S3
Molecular Weight:
677.5177
MDL Number:
MFCD01766290
IUPAC Name:
iron(3+);4-methylbenzenesulfonate;hexahydrate
InChI:
InChI=1S/3C7H8O3S.Fe.6H2O/c3*1-6-2-4-7(5-3-6)11(8,9)10;;;;;;;/h3*2-5H,1H3,(H,8,9,10);;6*1H2/q;;;+3;;;;;;/p-3
InChI Key:
FACZRMXNSYHQMG-UHFFFAOYSA-K
SMILES:
Cc1ccc(cc1)S(=O)(=O)O[Fe](OS(=O)(=O)c1ccc(cc1)C)OS(=O)(=O)c1ccc(cc1)C.O.O.O.O.O.O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
10  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
677.033g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
677.505g/mol
Monoisotopic Mass:
677.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties