C.I.活性黄161
7-benzothiazolesulfonic acid, 2-(4-((4-((3-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)-6-methyl-, disodium salt · CAS 85665-95-8
- 中文名
- C.I.活性黄161
- 中文别名
- 暂无
- 英文名
- 7-benzothiazolesulfonic acid, 2-(4-((4-((3-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)-6-methyl-, disodium salt
- CAS
- 85665-95-8
- CID
- 135853731
- IUPAC 名称
- disodium;2-[4-[[4-[3-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
名称与编号
- 中文名
- C.I.活性黄161
- 中文别名
- 暂无
- 英文名
- 7-benzothiazolesulfonic acid, 2-(4-((4-((3-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)-6-methyl-, disodium salt
- CAS
- 85665-95-8
- CID
- 135853731
- IUPAC 名称
- disodium;2-[4-[[4-[3-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
分子属性
- 分子式
- C32H25ClN10Na2O9S3
- 分子量
- 871.2 g/mol
- 精确质量
- 870.0452022 Da
- 单同位素质量
- 870.0452022 Da
- XLogP
- 暂无
- 极性表面积
- 343 Ų
- 氢键供体
- 4
- 氢键受体
- 18
- 可旋转键
- 9
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1760
结构标识
- InChIKey
- OFIKIFUMAXQTDI-UHFFFAOYSA-L
- SMILES
- CCN1C(=C(C(=C(C1=O)C(=O)N)C)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])O.[Na+].[Na+]
- InChI
- InChI=1S/C32H27ClN10O9S3.2Na/c1-4-43-28(45)22(26(34)44)15(3)23(29(43)46)42-41-20-13-18(10-12-21(20)54(47,48)49)36-32-39-30(33)38-31(40-32)35-17-8-6-16(7-9-17)27-37-19-11-5-14(2)25(24(19)53-27)55(50,51)52;;/h5-13,46H,4H2,1-3H3,(H2,34,44)(H,47,48,49)(H,50,51,52)(H2,35,36,38,39,40);;/q;2*+1/p-2