4,4'-[1,4-亚苯基二[亚氨基(6-氯 -1,3,5-三嗪-4,2-二基)亚氨基]]双 [5-羟基-6-[(2-磺苯基)偶氮]-2,7-萘 二磺酸六钠盐
2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt · CAS 68214-04-0
- 中文名
- 4,4'-[1,4-亚苯基二[亚氨基(6-氯 -1,3,5-三嗪-4,2-二基)亚氨基]]双 [5-羟基-6-[(2-磺苯基)偶氮]-2,7-萘 二磺酸六钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt
- CAS
- 68214-04-0
- CID
- 109762
- IUPAC 名称
- hexasodium;5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
名称与编号
- 中文名
- 4,4'-[1,4-亚苯基二[亚氨基(6-氯 -1,3,5-三嗪-4,2-二基)亚氨基]]双 [5-羟基-6-[(2-磺苯基)偶氮]-2,7-萘 二磺酸六钠盐
- 中文别名
- 暂无
- 英文名
- 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt
- CAS
- 68214-04-0
- CID
- 109762
- IUPAC 名称
- hexasodium;5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
分子属性
- 分子式
- C44H24Cl2N14Na6O20S6
- 分子量
- 1470 g/mol
- 精确质量
- 1467.8378773 Da
- 单同位素质量
- 1467.8378773 Da
- XLogP
- 暂无
- 极性表面积
- 609 Ų
- 氢键供体
- 6
- 氢键受体
- 34
- 可旋转键
- 12
- 重原子数
- 92
- 净电荷
- 0
- 结构复杂度
- 2830
结构标识
- InChIKey
- JCHWMQZZTLGTJZ-UHFFFAOYSA-H
- SMILES
- C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=C8C(=CC(=C7)S(=O)(=O)[O-])C=C(C(=C8O)N=NC9=CC=CC=C9S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C44H30Cl2N14O20S6.6Na/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74;;;;;;/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;;;;;/q;6*+1/p-6