297-83-6 (苯磺酸,3,3’-(4,5,6,7-四溴-3-氧代-1(3H)-异苯并呋喃亚基)双[6-羟基-(9CI),Benzenesulfonic acid,3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy- (9CI))

CAS号:
297-83-6
中文名称:
苯磺酸,3,3’-(4,5,6,7-四溴-3-氧代-1(3H)-异苯并呋喃亚基)双[6-羟基-(9CI)
英文名称:
Benzenesulfonic acid,3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy- (9CI)
分子式:
C20H10Br4O10S2
分子量:
794.033401012421

苯磺酸,3,3’-(4,5,6,7-四溴-3-氧代-1(3H)-异苯并呋喃亚基)双[6-羟基-(9CI)(297-83-6)名称与标识符

名称

英文别名:
2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid;3,3'-(4,5,6,7-Tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxybenzenesulphonic) acid;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;Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-;Sulfobromophthalein;Sulphobromophthalein;Sulphobromophthalein [BAN];UNII-0C2P5QKL36;SR-01000944702;297-83-6;3,3'-(Tetrabromophthalidylidene)bis[6-hydroxybenzenesulfonic acid];SULFOBROMPHTHALEIN [WHO-DD];Sulphobromophthalein (BAN);0C2P5QKL36;AKOS024387382;Q27132840;Sulfobromophthalein free acid;CHEBI:63836;DB13215;NCGC00159391-02;DTXSID4075378;SR-01000944702-1;4,5,6,7-tetrabromo-3',3''-disulfophenolphthalein;3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)-bis[6-hydroxy-benzenesulfonic acid];EINECS 206-047-5;CHEMBL574431;NS00028778;BDBM50300126;Sulfobromphthalein;5,5'-(4,5,6,7-Tetrabromo-3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-hydroxybenzenesulfonic acid);D08548;SCHEMBL743910;NCGC00159391-03;Sulfobromophtalein;

标识符

InChIKey:
OHTXTCNTQJFRIG-UHFFFAOYSA-N
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)
SMILES:
BrC1=C(C(=C(C2C(=O)OC(C3C=CC(=C(C=3)S(=O)(=O)O)O)(C3C=CC(=C(C=3)S(=O)(=O)O)O)C=21)Br)Br)Br

苯磺酸,3,3’-(4,5,6,7-四溴-3-氧代-1(3H)-异苯并呋喃亚基)双[6-羟基-(9CI)(297-83-6)物化性质

实验特性

  • 折射率 : 1.759
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 2.335

计算特性

  • 精确分子量 : 837.604684
  • 氢键供体数量 : 2
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 2
  • 同位素质量 : 833.608778
  • 重原子数量 : 38
  • 复杂度 : 994
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 3
  • 疏水参数计算参考值(XlogP) : 5.2
  • 拓扑分子极性表面积 : 198

苯磺酸,3,3’-(4,5,6,7-四溴-3-氧代-1(3H)-异苯并呋喃亚基)双[6-羟基-(9CI)(297-83-6)相关文献