C.I.活性黄18
Trisodium dihydrogen-4-((5-((4-((2-carboxylato-4-sulphonatophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate · CAS 74051-79-9
- 中文名
- C.I.活性黄18
- 中文别名
- 暂无
- 英文名
- Trisodium dihydrogen-4-((5-((4-((2-carboxylato-4-sulphonatophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- CAS
- 74051-79-9
- CID
- 126843303
- IUPAC 名称
- trisodium;4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
名称与编号
- 中文名
- C.I.活性黄18
- 中文别名
- 暂无
- 英文名
- Trisodium dihydrogen-4-((5-((4-((2-carboxylato-4-sulphonatophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- CAS
- 74051-79-9
- CID
- 126843303
- IUPAC 名称
- trisodium;4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
分子属性
- 分子式
- C26H18ClN9Na3O14S3+3
- 分子量
- 881.1 g/mol
- 精确质量
- 879.9516953 Da
- 单同位素质量
- 879.9516953 Da
- XLogP
- 暂无
- 极性表面积
- 383 Ų
- 氢键供体
- 7
- 氢键受体
- 22
- 可旋转键
- 12
- 重原子数
- 56
- 净电荷
- 3
- 结构复杂度
- 1800
结构标识
- InChIKey
- SYLDKLJHYGKNFL-UHFFFAOYSA-N
- SMILES
- C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)Cl)NC5=C(C=C(C=C5)S(=O)(=O)O)C(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C26H18ClN9O14S3.3Na/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44;;;/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32);;;/q;3*+1