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Eosin B Spirit Soluble

CAT: 0926-FE52709-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FE52709-01Size:25 g
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CAS Number
56360-46-4
Synonyms
Acid Red 91; CI 454
MDL Number
MFCD00066762
Smiles
C1=CC=C2C (=C1) C (=O) OC23C4=CC (=C (C (=C4OC5=C (C (=C (C=C35) [N+] (=O) [O-]) [O-]) Br) Br) [O-]) [N+] (=O) [O-]
Molecular Formula
C20H8Br2N2O9
Molecular Weight
580.09 g/mol
Controlled
No

Chemical Information

Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitro-

Eosin b diphenol is a C-nitro compound which consists of a fluorescein skeleton substituted by bromo groups at positions 4 and 5 and nitro groups at positions 2 and 7. It is a lactone, a C-nitro compound, an organobromine compound, an oxaspiro compound, a member of 2-benzofurans and a member of xanthenes. It is functionally related to a fluorescein (lactone form). It is a conjugate acid of an eosin b(2-).

CAS Number56360-46-4
PubChem CID452704
IUPAC Name4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitrospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H8Br2N2O9
Molecular Weight580.1
XLogP5.6
Topological Polar Surface Area168
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count33
Formal Charge0
Complexity804
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)[N+](=O)[O-])O)Br)Br)O)[N+](=O)[O-]
InChI
InChI=1S/C20H8Br2N2O9/c21-13-15(25)11(23(28)29)5-9-17(13)32-18-10(6-12(24(30)31)16(26)14(18)22)20(9)8-4-2-1-3-7(8)19(27)33-20/h1-6,25-26H
InChIKey
ZBQZBWKNGDEDOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4',5'-dibromo-3',6'-dihydroxy-2',7'-dinitro-
CAS: 56360-46-4
CID: 452704
Formula: C20H8Br2N2O9
MW: 580.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.1
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass579.85761
Monoisotopic Mass577.85965
Topological Polar Surface Area168 Ų
Heavy Atom Count33
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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