azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid · CAS 1571-36-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
- CAS
- 1571-36-4
- CID
- 135422264
- IUPAC 名称
- azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
- CAS
- 1571-36-4
- CID
- 135422264
- IUPAC 名称
- azane;5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
分子属性
- 分子式
- C26H23N5O10S2
- 分子量
- 629.6 g/mol
- 精确质量
- 629.08863429 Da
- 单同位素质量
- 629.08863429 Da
- XLogP
- 暂无
- 极性表面积
- 257 Ų
- 氢键供体
- 7
- 氢键受体
- 15
- 可旋转键
- 8
- 重原子数
- 43
- 净电荷
- 0
- 结构复杂度
- 1110
结构标识
- InChIKey
- NGBHBUBEKZMHCH-OXEZCZPGSA-N
- SMILES
- C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)O)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)N=NC4=CC(=C(C=C4)O)O)S(=O)(=O)O.N
- InChI
- InChI=1S/C26H20N4O10S2.H3N/c31-21-9-7-17(11-23(21)33)27-29-19-5-3-15(25(13-19)41(35,36)37)1-2-16-4-6-20(14-26(16)42(38,39)40)30-28-18-8-10-22(32)24(34)12-18;/h1-14,31-34H,(H,35,36,37)(H,38,39,40);1H3/b2-1+,29-27?,30-28?;