4-[[1-羟基-6-[[[[5-羟基-6-(苯基偶 氮)-7-硫-2-萘基]氨基]羰基]氨 基]-3-硫-2-萘基]偶氮]-1-萘磺酸钠
4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)naphthalene-1-sulphonic acid, sodium salt · CAS 83221-77-6
- 中文名
- 4-[[1-羟基-6-[[[[5-羟基-6-(苯基偶 氮)-7-硫-2-萘基]氨基]羰基]氨 基]-3-硫-2-萘基]偶氮]-1-萘磺酸钠
- 中文别名
- 暂无
- 英文名
- 4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)naphthalene-1-sulphonic acid, sodium salt
- CAS
- 83221-77-6
- CID
- 136075885
- IUPAC 名称
- trisodium;4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonate
名称与编号
- 中文名
- 4-[[1-羟基-6-[[[[5-羟基-6-(苯基偶 氮)-7-硫-2-萘基]氨基]羰基]氨 基]-3-硫-2-萘基]偶氮]-1-萘磺酸钠
- 中文别名
- 暂无
- 英文名
- 4-((1-Hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)naphthalene-1-sulphonic acid, sodium salt
- CAS
- 83221-77-6
- CID
- 136075885
- IUPAC 名称
- trisodium;4-hydroxy-7-[[5-hydroxy-7-sulfonato-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonate
分子属性
- 分子式
- C37H23N6Na3O12S3
- 分子量
- 908.8 g/mol
- 精确质量
- 908.02291656 Da
- 单同位素质量
- 908.02291656 Da
- XLogP
- 暂无
- 极性表面积
- 328 Ų
- 氢键供体
- 4
- 氢键受体
- 16
- 可旋转键
- 6
- 重原子数
- 61
- 净电荷
- 0
- 结构复杂度
- 1810
结构标识
- InChIKey
- PMBLAVONGYFZEB-UHFFFAOYSA-K
- SMILES
- C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C7=CC=CC=C76)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C37H26N6O12S3.3Na/c44-35-25-12-10-23(16-20(25)18-31(57(50,51)52)33(35)42-40-22-6-2-1-3-7-22)38-37(46)39-24-11-13-26-21(17-24)19-32(58(53,54)55)34(36(26)45)43-41-29-14-15-30(56(47,48)49)28-9-5-4-8-27(28)29;;;/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3