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Home > Product > Dyes > Acid Dyes > Rose Bengal, 90%, indicator

Rose Bengal, 90%, indicator

Catalog Number
ACM632699
Product Name
Rose Bengal, 90%, indicator
Structure
CAS Number
632-69-9
EC Number
211-183-3
IUPAC Name
disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate;
Synonyms
Acid Red 94; Rosa bengala sodica (131 I) [INN-Spanish]; C20H2Cl4I4Na2O5; disodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzo[b]furan-1,9'-xanthene]-3',6'-diolate; C.I. 45440; Food Red Color No. 105, sodium salt; FT-0621857; Xantryl; Rose bengal disodium salt; R105 sodium;
Molecular Formula
C20H2Cl4I4Na2O5;
Molecular Weight
1017.628g/mol
Exact Mass
1017.46g/mol
Monoisotopic Mass
1015.463g/mol
Topological Polar Surface Area
81.6A^2
Heavy Atom Count
35
Complexity
780
Covalently-Bonded Unit
3
SMILES
C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+];
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;
InChIKey
KCQREHTWEUECQT-UHFFFAOYSA-L;
H-Bond Acceptor
5
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Tel:1-201-478-8534
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Address: 2200 Smithtown Avenue, Room 1 Ronkonkoma, NY 11779-7329 USA