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Rose bengal

CAS No.:
632-69-9
Catalog Number:
AG0039RG
Molecular Formula:
C20H2Cl4I4Na2O5
Molecular Weight:
1017.6363
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
91%
In Stock USA
United States
$13
- +
5g
91%
In Stock USA
United States
$25
- +
25g
91%
In Stock USA
United States
$75
- +
100g
91%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0039RG
Chemical Name:
Rose bengal
CAS Number:
632-69-9
Molecular Formula:
C20H2Cl4I4Na2O5
Molecular Weight:
1017.6363
MDL Number:
MFCD00151169
IUPAC Name:
disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
InChI:
InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2
InChI Key:
KCQREHTWEUECQT-UHFFFAOYSA-L
SMILES:
[O-]c1c(I)cc2c(c1I)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)cc(c(c1I)[O-])I.[Na+].[Na+]
EC Number:
211-183-3
Properties
Complexity:
780  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1017.46g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1017.628g/mol
Monoisotopic Mass:
1015.463g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties