C.I.直接蓝274
Cuprate(6-), (mu-((3,3'-(iminobis((1-(hydroxy-kappaO)-3-sulfo-6,2-naphthalenediyl)(azo-kappaN1)(5-(hydroxy-kappaO)-2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonato))(10-)))di-, hexasodium · CAS 74685-92-0
- 中文名
- C.I.直接蓝274
- 中文别名
- 暂无
- 英文名
- Cuprate(6-), (mu-((3,3'-(iminobis((1-(hydroxy-kappaO)-3-sulfo-6,2-naphthalenediyl)(azo-kappaN1)(5-(hydroxy-kappaO)-2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonato))(10-)))di-, hexasodium
- CAS
- 74685-92-0
- CID
- 136056776
- IUPAC 名称
- hexasodium;copper;3-[[4-[[6-[[6-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2-hydroxy-5-methylphenyl]diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
名称与编号
- 中文名
- C.I.直接蓝274
- 中文别名
- 暂无
- 英文名
- Cuprate(6-), (mu-((3,3'-(iminobis((1-(hydroxy-kappaO)-3-sulfo-6,2-naphthalenediyl)(azo-kappaN1)(5-(hydroxy-kappaO)-2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonato))(10-)))di-, hexasodium
- CAS
- 74685-92-0
- CID
- 136056776
- IUPAC 名称
- hexasodium;copper;3-[[4-[[6-[[6-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2-hydroxy-5-methylphenyl]diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
分子属性
- 分子式
- C54H39Cu2N9Na6O22S6+6
- 分子量
- 1623.4 g/mol
- 精确质量
- 1620.851201 Da
- 单同位素质量
- 1620.851201 Da
- XLogP
- 暂无
- 极性表面积
- 568 Ų
- 氢键供体
- 11
- 氢键受体
- 31
- 可旋转键
- 2
- 重原子数
- 99
- 净电荷
- 6
- 结构复杂度
- 3210
结构标识
- InChIKey
- CTHDPNOHIWJUNB-UHFFFAOYSA-N
- SMILES
- CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)O)N=NC4=C(C=C5C=C(C=CC5=C4O)NC6=CC7=CC(=C(C(=C7C=C6)O)N=NC8=C(C=C(C(=C8)C)N=NC9=CC1=C(C=CC=C1S(=O)(=O)O)C(=C9)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu]
- InChI
- InChI=1S/C54H39N9O22S6.2Cu.6Na/c1-25-13-41(43(64)23-39(25)58-56-31-19-37-35(47(21-31)88(74,75)76)5-3-7-45(37)86(68,69)70)60-62-51-49(90(80,81)82)17-27-15-29(9-11-33(27)53(51)66)55-30-10-12-34-28(16-30)18-50(91(83,84)85)52(54(34)67)63-61-42-14-26(2)40(24-44(42)65)59-57-32-20-38-36(48(22-32)89(77,78)79)6-4-8-46(38)87(71,72)73;;;;;;;;/h3-24,55,64-67H,1-2H3,(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85);;;;;;;;/q;;;6*+1