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Structure

Sulfobromophthalein sodium

CAS
123359-42-2
Catalog Number
ACM123359422
Category
Other Products
Molecular Weight
838
Molecular Formula
C20H8Br4Na2O10S2

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Specification

Synonyms
Bromsulfalein sodium, 167207_SIAL, Sulfobromophthalein sodium salt hydrate, Sulfobromophthalein disodium salt hydrate, Bromsulfalein sodium disodium salt hydrate, 123359-42-2
IUPAC Name
disodium;2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate;hydrate
Canonical SMILES
C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.O.[Na+].[Na+]
InChI Key
CDTNUNQQEUGDSD-UHFFFAOYSA-L
Appearance
white crystalline powder
Exact Mass
833.60900
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
11
H-Bond Donor
3
Safety Description
S22-S36/37-S45
WGK Germany
3
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