85959-22-4 ((2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-)

CAS号:
85959-22-4
英文名称:
2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-
分子式:
C28H18N8O14S2
分子量:
754.617720000001

2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-(85959-22-4)名称与标识符

名称

英文别名:
2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-;2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-n;5-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonic acid;

标识符

InChIKey:
ZCRIAKTZUSQIMP-SOGQZCQWSA-N
Inchi:
InChI=1S/C28H18N8O14S2/c37-21-7-5-16(36(43)44)11-19(21)31-34-26-23(52(48,49)50)10-13-9-17(51(45,46)47)12-20(24(13)28(26)40)32-30-18-6-8-22(38)25(27(18)39)33-29-14-1-3-15(4-2-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)/b32-30+,33-29+,34-31+
SMILES:
C1=C(C=CC(=C1)[N+](=O)[O-])/N=N/C2=C(C=CC(=C2O)/N=N/C3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)/N=N/C5=C(C=CC(=C5)[N+](=O)[O-])O)S(=O)(=O)O)O

2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-3-[2-(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-(85959-22-4)物化性质

计算特性

  • 氢键供体数量 : 6
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 10
  • 重原子数量 : 52