CHEBI:63827 - bromosulfophthalein sodium

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ChEBI Name bromosulfophthalein sodium ChEBI ID CHEBI:63827 Definition An organic sodium salt that is the disodium salt of bromosulfophthalein. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H8Br4Na2O10S2 Net Charge 0 Average Mass 837.998 Monoisotopic Mass 833.60878 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 InChIKey GHAFORRTMVIXHS-UHFFFAOYSA-L SMILES BrC1=C2C(OC(=O)C2=C(Br)C(Br)=C1Br)(C=3C=C(S([O-])(=O)=O)C(O)=CC3)C=4C=C(S([O-])(=O)=O)C(O)=CC4.[Na+].[Na+] Roles Classification Application(s): dye View more via ChEBI Ontology ChEBI Ontology Outgoing bromosulfophthalein sodium (CHEBI:63827) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085) bromosulfophthalein sodium (CHEBI:63827) has part bromosulfophthalein(2−) (CHEBI:63832) bromosulfophthalein sodium (CHEBI:63827) has role dye (CHEBI:37958) bromosulfophthalein sodium (CHEBI:63827) is a organic sodium salt (CHEBI:38700) IUPAC Name disodium 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate) Synonyms Sources 4,5,6,7-Tetrabromo-3',3''-disulfophenolphthalein disodium salt ChemIDplus Bromosulfalein ChemIDplus Bromosulfophthalein ChemIDplus bromosulfophthalein disodium salt ChEBI Bromosulphthalein ChemIDplus Bromsulfalein ChemIDplus Disodium bromosulfophthalein ChemIDplus Disodium phenoltetrabromophthalein sulfonate ChemIDplus Sodium bromosulfalein ChemIDplus Sodium bromosulfophthalein ChemIDplus Sodium phenol tetrabromophthalein ChemIDplus Sodium sulfobromophthalein ChemIDplus Sodium sulphobromophthalein ChemIDplus Sulphobromophthalein sodium ChemIDplus Tetrabromophenolsulfophthalein ChemIDplus Registry Numbers Types Sources 71-67-0 CAS Registry Number ChemIDplus 7110446 Reaxys Registry Number Reaxys Citation Type Source 920954 PubMed citation Europe PMC Last Modified 19 March 2018