CHEBI:63832 - bromosulfophthalein(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bromosulfophthalein(2−)
ChEBI ID CHEBI:63832
ChEBI ASCII Name bromosulfophthalein(2-)
Definition An organosulfonate oxoanion obtained by deprotonation of both sulfonyl groups of bromosulfophthalein.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:47274
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H8Br4O10S2
Net Charge -2
Average Mass 792.010
Monoisotopic Mass 787.63034
InChI InChI=1S/C20H10Br4O10S2/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)/p-2
InChIKey OHTXTCNTQJFRIG-UHFFFAOYSA-L
SMILES OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O
Roles Classification
Application(s): dye

View more via ChEBI Ontology
ChEBI Ontology
Outgoing bromosulfophthalein(2−) (CHEBI:63832) has role dye (CHEBI:37958)
bromosulfophthalein(2−) (CHEBI:63832) is a organosulfonate oxoanion (CHEBI:33554)
bromosulfophthalein(2−) (CHEBI:63832) is conjugate base of bromosulfophthalein (CHEBI:63836)
Incoming bromosulfophthalein sodium (CHEBI:63827) has part bromosulfophthalein(2−) (CHEBI:63832)
bromosulfophthalein (CHEBI:63836) is conjugate acid of bromosulfophthalein(2−) (CHEBI:63832)
IUPAC Name
3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)
Synonyms Sources
2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonato-phenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate PDBeChem
3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion PDBeChem
bromosulfophthalein ChEBI
bromosulfophthalein dianion ChEBI
Manual Xref Database
BSP PDBeChem
View more database links
Registry Number Type Source
1416698 Reaxys Registry Number Reaxys
Last Modified
22 January 2024