16596-97-7 (2-[4-[2-[4-[[2-甲基-4-(7-磺酸基-2H-萘并[1,2-d]三唑-2-基)苯基]偶氮]-2-磺酸基苯基]乙烯基]-3-磺酸基苯基]-2H-萘并[1,2-d]三唑-5-磺酸四钠盐,2H-Naphtho[1,2-d]triazole-5-sulfonicacid,2-[4-[2-[4-[2-[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-,sodium salt (1:4))

CAS号:
16596-97-7
中文名称:
2-[4-[2-[4-[[2-甲基-4-(7-磺酸基-2H-萘并[1,2-d]三唑-2-基)苯基]偶氮]-2-磺酸基苯基]乙烯基]-3-磺酸基苯基]-2H-萘并[1,2-d]三唑-5-磺酸四钠盐
英文名称:
2H-Naphtho[1,2-d]triazole-5-sulfonicacid,2-[4-[2-[4-[2-[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-,sodium salt (1:4)
分子式:
C41H24N8Na4O12S4
分子量:
1040.8947467804

2-[4-[2-[4-[[2-甲基-4-(7-磺酸基-2H-萘并[1,2-d]三唑-2-基)苯基]偶氮]-2-磺酸基苯基]乙烯基]-3-磺酸基苯基]-2H-萘并[1,2-d]三唑-5-磺酸四钠盐(16596-97-7)名称与标识符

名称

中文别名:
2-[4-[2-[4-[[2-甲基-4-(7-磺基-2H-萘并[1,2-D]三唑-2-基)苯基]偶氮]-2-磺基苯基]-乙烯基]-3-磺基苯基]-2H-萘并[1,2-D]三唑-5-磺酸四钠盐;2-[4-[2-[4-[[2-甲基-4-(7-磺酸基-2H-萘并[1,2-d]三唑-2-基)苯基]偶氮]-2-磺酸基苯基]乙烯基]-3-磺酸基苯基]-2H-萘并[1,2-d]三唑-5-磺酸四钠盐;
英文别名:
2H-Naphtho[1,2-d]triazole-5-sulfonicacid,2-[4-[2-[4-[2-[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-,sodium salt (1:4);2H-Naphtho[1,2-d]triazole-5-sulfonicacid,2-[4-[2-[4-[2-[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]diazenyl]-2-;tetrasodium 2-[4-[2-[4-[[2-methyl-4-(7-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)phenyl]azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate;tetrasodium,2-[4-[(E)-2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate;2H-Naphtho(1,2-d)triazole-5-sulfonic acid, 2-(4-(2-(4-((2-methyl-4-(7-sulfo-2H-naphtho(1,2-d)triazol-2-yl)phenyl)azo)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-, tetrasodium salt;2H-Naphtho(1,2-d)triazole-5-sulfonic acid, 2-(4-(2-(4-(2-(2-methyl-4-(7-sulfo-2H-naphtho(1,2-d)triazol-2-yl)phenyl)diazenyl)-2-sulfophenyl)ethenyl)-3-sulfophenyl)-, sodium salt (1:4);Tetrasodium 2-(4-(2-(4-((2-methyl-4-(7-sulphonato-2H-naphtho(1,2-d)triazol-2-yl);2H-Naphtho1,2-dtriazole-5-sulfonic acid, 2-4-2-4-2-methyl-4-(7-sulfo-2H-naphtho1,2-dtriazol-2-yl)phenylazo-2-sulfophenylethenyl-3-sulfophenyl-, tetrasodium salt;2-[4-[2-[4-[[2-Methyl-4-[7-(sodiosulfo)-2H-naphtho[1,2-d]triazol-2-yl]phenyl]azo]-2-(sodiosulfo)phenyl]ethenyl]-3-(sodiosulfo)phenyl]-2H-naphtho[1,2-d]triazole-5-sulfonic acid sodium salt;16596-97-7;EINECS 240-655-1;NS00052319;Tetrasodium 2-(4-(2-(4-((2-methyl-4-(7-sulphonato-2H-naphtho(1,2-d)triazol-2-yl)phenyl)azo)-2-sulphonatophenyl)vinyl)-3-sulphonatophenyl)-2H-naphtho(1,2-d)triazole-5-sulphonate;2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[2-[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, sodium salt;

标识符

InChIKey:
VJLOCFYWROIYIL-BTAPYPIXSA-J
Inchi:
1S/C41H28N8O12S4.4Na/c1-23-18-28(48-44-35-16-10-26-19-30(62(50,51)52)14-15-31(26)40(35)46-48)13-17-34(23)43-42-27-11-8-24(37(20-27)63(53,54)55)6-7-25-9-12-29(21-38(25)64(56,57)58)49-45-36-22-39(65(59,60)61)32-4-2-3-5-33(32)41(36)47-49;;;;/h2-22H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4/b7-6+,43-42+;;;;
SMILES:
S(C1=CC2C(C3C=CC=CC=31)=NN(C1=CC=C(/C=C/C3C=CC(=CC=3S(=O)(=O)[O-])/N=N/C3C=CC(=CC=3C)N3N=C4C=CC5C=C(C=CC=5C4=N3)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])N=2)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

2-[4-[2-[4-[[2-甲基-4-(7-磺酸基-2H-萘并[1,2-d]三唑-2-基)苯基]偶氮]-2-磺酸基苯基]乙烯基]-3-磺酸基苯基]-2H-萘并[1,2-d]三唑-5-磺酸四钠盐(16596-97-7)物化性质

实验特性

  • LogP : 10.29460
  • PSA : 348.46000

计算特性

  • 精确分子量 : 1040.00000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 18
  • 可旋转化学键数量 : 6
  • 同位素质量 : 1039.9987301g/mol
  • 重原子数量 : 69
  • 复杂度 : 2180
  • 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 : 5
  • 拓扑分子极性表面积 : 349Ų