[2-[[[4-[(2-氯乙基)磺酰基]苯基][[2-羟基-5-磺基 -3-[[[[2-[[2-(磺氧基)乙基]磺基]乙基]氨基]羰基]氨基]苯基]偶氮基]甲基]偶氮基]-4-磺基苯甲酸根(6-)]铜酸(4-)四钠

Cuprate(4-), (2-(2-((4-((2-chloroethyl)sulfonyl)phenyl)(2-(2-(hydroxy-kappaO)-5-sulfo-3-((((2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)amino)carbonyl)amino)phenyl)diazenyl-kappaN2)methyl)diazenyl-kappaN1)-4-sulfobenzoato(6-)-kappaO)-, sodium (1:4) · CAS 158640-34-7

中文名: [2-[[[4-[(2-氯乙基)磺酰基]苯基][[2-羟基-5-磺基 -3-[[[[2-[[2-(磺氧基)乙基]磺基]乙基]氨基]羰基]氨基]苯基]偶氮基]甲基]偶氮基]-4-磺基苯甲酸根(6-)]铜酸(4-)四钠
中文别名: 暂无
英文名: Cuprate(4-), (2-(2-((4-((2-chloroethyl)sulfonyl)phenyl)(2-(2-(hydroxy-kappaO)-5-sulfo-3-((((2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)amino)carbonyl)amino)phenyl)diazenyl-kappaN2)methyl)diazenyl-kappaN1)-4-sulfobenzoato(6-)-kappaO)-, sodium (1:4)
CAS: 158640-34-7
CID: 156599395
IUPAC 名称: copper;tetrasodium;3-[[(Z)-N-(2-carboxy-5-sulfonatophenyl)azanidyl-C-[4-(2-chloroethylsulfonyl)phenyl]carbonimidoyl]diazenyl]-4-hydroxy-5-[[C-oxido-N-[2-(2-sulfonatooxyethylsulfonyl)ethyl]carbonimidoyl]amino]benzenesulfonate

名称与编号

中文名: [2-[[[4-[(2-氯乙基)磺酰基]苯基][[2-羟基-5-磺基 -3-[[[[2-[[2-(磺氧基)乙基]磺基]乙基]氨基]羰基]氨基]苯基]偶氮基]甲基]偶氮基]-4-磺基苯甲酸根(6-)]铜酸(4-)四钠
中文别名: 暂无
英文名: Cuprate(4-), (2-(2-((4-((2-chloroethyl)sulfonyl)phenyl)(2-(2-(hydroxy-kappaO)-5-sulfo-3-((((2-((2-(sulfooxy)ethyl)sulfonyl)ethyl)amino)carbonyl)amino)phenyl)diazenyl-kappaN2)methyl)diazenyl-kappaN1)-4-sulfobenzoato(6-)-kappaO)-, sodium (1:4)
CAS: 158640-34-7
CID: 156599395
IUPAC 名称: copper;tetrasodium;3-[[(Z)-N-(2-carboxy-5-sulfonatophenyl)azanidyl-C-[4-(2-chloroethylsulfonyl)phenyl]carbonimidoyl]diazenyl]-4-hydroxy-5-[[C-oxido-N-[2-(2-sulfonatooxyethylsulfonyl)ethyl]carbonimidoyl]amino]benzenesulfonate

分子属性

分子式: C27H24ClCuN6Na4O18S5+
分子量: 1071.8 g/mol
精确质量: 1069.832591 Da
单同位素质量: 1069.832591 Da
XLogP: 暂无
极性表面积: 434 Å²
氢键供体: 3
氢键受体: 22
可旋转键: 12
重原子数: 62
净电荷: 1
结构复杂度: 2000

结构标识

InChIKey: IZFSRQNZLIJKJY-UHFFFAOYSA-I
SMILES: C1=CC(=CC=C1/C(=N/[N-]C2=C(C=CC(=C2)S(=O)(=O)[O-])C(=O)O)/N=NC3=CC(=CC(=C3O)NC(=NCCS(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)CCCl.[Na+].[Na+].[Na+].[Na+].[Cu+2]
InChI: InChI=1S/C27H29ClN6O18S5.Cu.4Na/c28-7-10-54(41,42)17-3-1-16(2-4-17)25(33-31-21-13-18(55(43,44)45)5-6-20(21)26(36)37)34-32-23-15-19(56(46,47)48)14-22(24(23)35)30-27(38)29-8-11-53(39,40)12-9-52-57(49,50)51;;;;;/h1-6,13-15H,7-12H2,(H8,29,30,31,32,33,34,35,36,37,38,43,44,45,46,47,48,49,50,51);;;;;/q;+2;4*+1/p-5