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55728-51-3

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Basic Information
CAS No.: 55728-51-3
Name: (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxymercury
Molecular Structure:
Molecular Structure of 55728-51-3 ((2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxymercury)
Formula: C20H10Br2HgO6
Molecular Weight: 706.69
Synonyms: Fluorescein,2',7'-dibromo-4'-(hydroxymercuri)- (7CI);(2',7'-Dibromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-4'-yl)hydroxy-;(2',7'-Dibromo-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)(hydroxy)mercury;
EINECS: 259-779-2
PSA: 96.22000
LogP: 4.18610
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Specification

The Mercury,(2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxy-(9CI), with the CAS registry number 55728-51-3, is also known as (2',7'-Dibromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-4'-yl)hydroxy-. Its EINECS number is 259-779-2. This chemical's molecular formula is C20H10Br2HgO6 and molecular weight is 706.69. What's more, its systematic name is (2',7'-Dibromo-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-4'-yl)(hydroxy)mercury.

Physical properties of Mercury,(2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxy-(9CI) are: (1)#H bond acceptors: 6; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 96.22 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc5c(cc1O)Oc2c([Hg]O)c(O)c(Br)cc2C45OC(=O)c3ccccc34
(2)InChI: InChI=1S/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-7,23-24H;;1H2/q;+1;/p-1
(3)InChIKey: GWQCGQYPYHOMSJ-UHFFFAOYSA-M