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bromosulfophthalein(2-)

Properties

Image

Occurences in reactions

MNX_ID

MNXM119898

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₈Br₄O₁₀S₂

charge

-2

mass

787.63033

reference

chebi:63832

InChIKey

OHTXTCNTQJFRIG-UHFFFAOYSA-L

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

SMILES

O=C1OC(c2ccc(O)c(S(=O)(=O)[O-])c2)(c2ccc(O)c(S(=O)(=O)[O-])c2)c2c(Br)c(Br)c(Br)c(Br)c21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63832 chebi:63832	bromosulfophthalein(2-) 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate) bromosulfophthalein bromosulfophthalein dianion
CHEBI:47274 chebi:47274	3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)
seed.compound:cpd08218 seedM:cpd08218 kegg.compound:C11363 keggC:C11363	Sulfobromophthalein
kegg.drug:D08548 keggD:D08548	Sulphobromophthalein (BAN) Sulfobromophthalein
reactome:R-ALL-879541 reactomeM:R-ALL-879541 reactome:R-ALL-879576 reactomeM:R-ALL-879576 CHEBI:63836 chebi:63836	bromosulfophthalein 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonic acid) 4,5,6,7-tetrabromo-3',3''-disulfophenolphthalein Sulphobromophthalein
keggC:M_C11363 keggD:M_D08548 seedM:M_cpd08218	secondary/obsolete/fantasy identifier