16623-47-5 ((1-Naphthalenesulfonicacid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-)

CAS号:
16623-47-5
英文名称:
1-Naphthalenesulfonicacid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-
分子式:
C16H12N2O6S
分子量:
360.341282844543

1-Naphthalenesulfonicacid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-(16623-47-5)名称与标识符

名称

英文别名:
1-Naphthalenesulfonicacid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-;4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulphonic acid;Sulfonaphtholazoresorcinol;1-(2,4-Dihydroxy-phenylazo)-2-hydroxy-naphthalin-4-sulfonsaeure;1-[(2,4-Dihydroxyphenyl)azo]-2-hydroxy-4-naphthalenesulfonic acid;3-Hydroxy-4-[(2,4-dihydroxyphenyl)azo]-1-naphthalenesulfonic acid;4-[(2,4-dihydroxyphenyl)azo]-3-hydroxynaphthalene-1-sulfonic acid;Sulfonaphtholazoresorzinol;MLS002694782;16623-47-5;CHEMBL1735454;1-Naphthalenesulfonic acid, 4-((2,4-dihydroxyphenyl)azo)-3-hydroxy-;CHEMBL363296;1-Naphthalenesulfonic acid, 4-[(2,4-dihydroxyphenyl)azo]-3-hydroxy-;(4Z)-4-[(2,4-dihydroxyphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid;NSC-87862;1-Naphthalenesulfonic acid,4-dihydroxyphenyl)azo]-3-hydroxy-;4-((2,4-Dihydroxyphenyl)azo)-3-hydroxynaphthalene-1-sulphonic acid;BDBM115151;HMS3079K13;NCIOpen2_009600;NSC87862;BDBM50154621;4-[(2,4-dihydroxyphenyl)diazenyl]-3-hydroxynaphthalene-1-sulfonic acid;NS00025440;SMR001560701;cid_5483802;NCI60_041941;1-Naphthalenesulfonic acid, 4-(2-(2,4-dihydroxyphenyl)diazenyl)-3-hydroxy-;EINECS 240-672-4;SCHEMBL16853116;(4Z)-4-[(2,4-dihydroxyphenyl)hydrazono]-3-keto-naphthalene-1-sulfonic acid;(4Z)-4-[[2,4-bis(oxidanyl)phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid;NSC 87862;SCHEMBL10874811;DTXSID4066092;(4Z)-4-[(2,4-dihydroxyphenyl)hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid;4-((E)-2,4-Dihydroxy-phenylazo)-3-hydroxy-naphthalene-1-sulfonic acid;

标识符

InChIKey:
JQBUVPRAKRZKRZ-ISLYRVAYSA-N
Inchi:
1S/C16H12N2O6S/c19-9-5-6-12(13(20)7-9)17-18-16-11-4-2-1-3-10(11)15(8-14(16)21)25(22,23)24/h1-8,19-21H,(H,22,23,24)/b18-17+
SMILES:
S(C1C=C(C(=C2C=CC=CC2=1)/N=N/C1C=CC(=CC=1O)O)O)(=O)(=O)O

1-Naphthalenesulfonicacid, 4-[2-(2,4-dihydroxyphenyl)diazenyl]-3-hydroxy-(16623-47-5)物化性质

实验特性

  • LogP : 4.69950
  • PSA : 139.78
  • 折射率 : 1.716
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.61

计算特性

  • 精确分子量 : 360.04166
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 3
  • 同位素质量 : 360.042
  • 重原子数量 : 25
  • 复杂度 : 696
  • 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 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.6
  • 拓扑分子极性表面积 : 145A^2