62705-64-0 ((2-Naphthalenesulfonic acid,6-amino-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-)

CAS号:
62705-64-0
英文名称:
2-Naphthalenesulfonic acid,6-amino-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-
分子式:
C16H12N4O10S2
分子量:
484.417281150818

2-Naphthalenesulfonic acid,6-amino-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-(62705-64-0)名称与标识符

名称

英文别名:
2-Naphthalenesulfonic acid,6-amino-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-;2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-;

标识符

InChIKey:
PEWICBAQTDKGLN-UHFFFAOYSA-N
Inchi:
1S/C16H12N4O10S2/c17-8-2-1-7-3-13(32(28,29)30)14(15(21)10(7)4-8)19-18-11-5-9(31(25,26)27)6-12(16(11)22)20(23)24/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30)
SMILES:
C1=C2C(C=C(N)C=C2)=C(O)C(N=NC2=CC(S(O)(=O)=O)=CC([N+]([O-])=O)=C2O)=C1S(O)(=O)=O

2-Naphthalenesulfonic acid,6-amino-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]-(62705-64-0)物化性质

实验特性

  • PSA : 243.08
  • 酸度系数(pKa) : -1.27±0.50(Predicted)
  • 密度 : 1.97±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 483.99956