4-氨基-5-羟基-3[[4-[[2-氧代 -1-[(苯氨基)羰基]丙基]偶氮]苯基] 偶氮基]-6-[(4-磺酸基-1-萘基)偶氮基]-2,7-萘二磺酸三钠

2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)phenyl)diazenyl)-6-(2-(4-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:3) · CAS 79135-92-5

中文名: 4-氨基-5-羟基-3[[4-[[2-氧代 -1-[(苯氨基)羰基]丙基]偶氮]苯基] 偶氮基]-6-[(4-磺酸基-1-萘基)偶氮基]-2,7-萘二磺酸三钠
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)phenyl)diazenyl)-6-(2-(4-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:3)
CAS: 79135-92-5
CID: 135666583
IUPAC 名称: trisodium;4-amino-3-[[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]phenyl]diazenyl]-5-hydroxy-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

名称与编号

中文名: 4-氨基-5-羟基-3[[4-[[2-氧代 -1-[(苯氨基)羰基]丙基]偶氮]苯基] 偶氮基]-6-[(4-磺酸基-1-萘基)偶氮基]-2,7-萘二磺酸三钠
中文别名: 暂无
英文名: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-(2-(4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)phenyl)diazenyl)-6-(2-(4-sulfo-1-naphthalenyl)diazenyl)-, sodium salt (1:3)
CAS: 79135-92-5
CID: 135666583
IUPAC 名称: trisodium;4-amino-3-[[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]phenyl]diazenyl]-5-hydroxy-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

分子属性

分子式: C36H25N8Na3O12S3
分子量: 926.8 g/mol
精确质量: 926.04471463 Da
单同位素质量: 926.04471463 Da
XLogP: 暂无
极性表面积: 363 Å²
氢键供体: 3
氢键受体: 19
可旋转键: 9
重原子数: 62
净电荷: 0
结构复杂度: 1880

结构标识

InChIKey: QNOGCTQRPDELBQ-UHFFFAOYSA-K
SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C(=C(C4=C3N)O)N=NC5=CC=C(C6=CC=CC=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI: InChI=1S/C36H28N8O12S3.3Na/c1-19(45)32(36(47)38-21-7-3-2-4-8-21)42-39-22-11-13-23(14-12-22)40-43-33-28(58(51,52)53)17-20-18-29(59(54,55)56)34(35(46)30(20)31(33)37)44-41-26-15-16-27(57(48,49)50)25-10-6-5-9-24(25)26;;;/h2-18,32,46H,37H2,1H3,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3