1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;

2.1.2 InChI Key

VAUXMLUPHZHNIW-UHFFFAOYSA-N

2.1.3 Canonical SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br)C(=O)O.[Na].[Na]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Eosin Yellowish

2. Schembl18834103

3. Eosin Y Solution, 5 Wt. % In H2o

4. Eosin Y Disodium Salt, For Electrophoresis

5. Eosin Y, Saj Special Grade, >=85.0%

6. Eosin Y Disodium Salt, Dye Content >=85 %

7. Eosin Y Disodium Salt, Certified By The Biological Stain Commission

8. Eosin Y Disodium Salt, For Microscopy (fl., Hist.), Adsorption And Fluorescent Indicator

2.3 Create Date

2017-03-03

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₈Br₄Na₂O₅
Molecular Weight	693.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	693.68596 g/mol
Monoisotopic Mass	689.69006 g/mol
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	848
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Eosin Yellowish