85294-31-1 ((2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4-nitrophenyl)azo)-6-(phenylazo)-, dilithium salt)

CAS号:
85294-31-1
英文名称:
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4-nitrophenyl)azo)-6-(phenylazo)-, dilithium salt
分子式:
C22H14Li2N6O9S2
分子量:
584.393361568451

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4-nitrophenyl)azo)-6-(phenylazo)-, dilithium salt(85294-31-1)名称与标识符

名称

英文别名:
dilithium,(6Z)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate;2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4-nitrophenyl)azo)-6-(phenylazo)-, dilithium salt;2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4-nitrophenyl)diazenyl)-6-(2-phenyldiazenyl)-, lithium salt (1:2);2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(phenylazo)-, dilithium salt;2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-6-(2-phenyldiazenyl)-, lithium salt (1:2);4-Amino-5-hydroxy-3-[(;

标识符

InChIKey:
NCFVUSLQOPKUMO-DROYEMJCSA-L
Inchi:
1S/C22H16N6O9S2.2Li/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-25+,27-24+;;
SMILES:
S(C1=C(C(=C2C(=C(C(=CC2=C1)S(=O)(=O)[O-])/N=N/C1C=CC=CC=1)O)N)/N=N/C1C=CC(=CC=1)[N+](=O)[O-])(=O)(=O)[O-].[Li+].[Li+]

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4-nitrophenyl)azo)-6-(phenylazo)-, dilithium salt(85294-31-1)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 4
  • 重原子数量 : 41
  • 复杂度 : 1110
  • 拓扑分子极性表面积 : 273

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-((4-nitrophenyl)azo)-6-(phenylazo)-, dilithium salt(85294-31-1)相关文献