[3H]BSP   

GtoPdb Ligand ID: 4505

Synonyms: [3H]-BSP | bromosulfophthalein
   
Compound class: Synthetic organic
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]
Isomeric SMILES Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]
InChI InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChI Key GHAFORRTMVIXHS-UHFFFAOYSA-L
Classification
Compound class Synthetic organic
IUPAC Name
disodium 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonate
Synonyms
[3H]-BSP | bromosulfophthalein
Database Links
ChEMBL Ligand CHEMBL453904
GtoPdb PubChem SID 178101232
PubChem CID 6282
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