Chem
J-GLOBAL ID：200907017641155187   Nikkaji number：J107.144K

4,5,6,7-Tetrabromo-3,3-bis(4-hydroxy-3-sulfophenyl)phthalide

4,5,6,7-テトラブロモ-3,3-ビス(4-ヒドロキシ-3-スルホフェニル)フタリド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H10Br4O10S2
Molecular formula furigana： C20-H10-BR4-O10-S2
Molecular weight： 794.030
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)
InChI key： OHTXTCNTQJFRIG-UHFFFAOYSA-N
SMILES： Oc1ccc(cc1S(=O)(=O)O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S(=O)(=O)O
Systematic name  (3)：
  • 4,5,6,7-テトラブロモ-3,3-ビス(4-ヒドロキシ-3-スルホフェニル)フタリド
  • 2-ヒドロキシ-5-[4,5,6,7-テトラブロモ-1-(4-ヒドロキシ-3-スルホフェニル)-3-オキソ-1,3-ジヒドロ-2-ベンゾフラン-1-イル]ベンゼン-1-スルホン酸
  • 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonic acid
Other name (1)：
  • 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxy-3-sulfophenyl)phthalide
CAS registry number： 297-83-6
Regulation number (2)：
  • TI3850000
  • EINECS2060475
KEGG DRUG： D08548
KEGG COMPOUND： C11363
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