2-[[8-[[4-氯代-6-[[3-[[[4-氯代 -6-[[7-[(1,5-二磺基-2-萘基)偶氮]-8-羟基-8,6-二磺基-1-萘基]氨基]-1,3,5-三嗪-2-基]氨基]甲基]苯基]氨基]-1,3,5-三嗪基-2]氨基]-1- 羟基-3,6-二磺基-2-萘基]偶氮]-1,5- 萘二磺酸八钠

Octasodium 2-(8-(4-chloro-6-(3-((4-chloro-6-(3,6-disulfonato-2-(1,5-disulfonatonaphthalen-2-ylazo)-1-hydroxynaphthalen-8-ylamino)-1,3,5-triazin-2-yl)aminomethyl)phenylamino)-1,3,5-triazin-2-ylamino)-3,6-disulfonato-1-hydroxynaphthalen-2-ylazo)naphthalene-1,5-disulfonate · CAS 186554-26-7

中文名: 2-[[8-[[4-氯代-6-[[3-[[[4-氯代 -6-[[7-[(1,5-二磺基-2-萘基)偶氮]-8-羟基-8,6-二磺基-1-萘基]氨基]-1,3,5-三嗪-2-基]氨基]甲基]苯基]氨基]-1,3,5-三嗪基-2]氨基]-1- 羟基-3,6-二磺基-2-萘基]偶氮]-1,5- 萘二磺酸八钠
中文别名: 暂无
英文名: Octasodium 2-(8-(4-chloro-6-(3-((4-chloro-6-(3,6-disulfonato-2-(1,5-disulfonatonaphthalen-2-ylazo)-1-hydroxynaphthalen-8-ylamino)-1,3,5-triazin-2-yl)aminomethyl)phenylamino)-1,3,5-triazin-2-ylamino)-3,6-disulfonato-1-hydroxynaphthalen-2-ylazo)naphthalene-1,5-disulfonate
CAS: 186554-26-7
CID: 165360041
IUPAC 名称: octasodium;5-[[4-chloro-6-[[3-[[4-chloro-6-[[7-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-8-hydroxy-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

名称与编号

中文名: 2-[[8-[[4-氯代-6-[[3-[[[4-氯代 -6-[[7-[(1,5-二磺基-2-萘基)偶氮]-8-羟基-8,6-二磺基-1-萘基]氨基]-1,3,5-三嗪-2-基]氨基]甲基]苯基]氨基]-1,3,5-三嗪基-2]氨基]-1- 羟基-3,6-二磺基-2-萘基]偶氮]-1,5- 萘二磺酸八钠
中文别名: 暂无
英文名: Octasodium 2-(8-(4-chloro-6-(3-((4-chloro-6-(3,6-disulfonato-2-(1,5-disulfonatonaphthalen-2-ylazo)-1-hydroxynaphthalen-8-ylamino)-1,3,5-triazin-2-yl)aminomethyl)phenylamino)-1,3,5-triazin-2-ylamino)-3,6-disulfonato-1-hydroxynaphthalen-2-ylazo)naphthalene-1,5-disulfonate
CAS: 186554-26-7
CID: 165360041
IUPAC 名称: octasodium;5-[[4-chloro-6-[[3-[[4-chloro-6-[[7-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-8-hydroxy-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]methylamino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

分子属性

分子式: C53H28Cl2N14Na8O26S8
分子量: 1788.2 g/mol
精确质量: 1785.7623461 Da
单同位素质量: 1785.7623461 Da
XLogP: 暂无
极性表面积: 740 Å²
氢键供体: 6
氢键受体: 40
可旋转键: 13
重原子数: 111
净电荷: 0
结构复杂度: 3930

结构标识

InChIKey: YFGJFIODUULWQE-UHFFFAOYSA-F
SMILES: C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])CNC7=NC(=NC(=N7)Cl)NC8=C9C(=CC(=C8)S(=O)(=O)[O-])C=C(C(=C9O)N=NC1=C(C2=C(C=C1)C(=CC=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C53H36Cl2N14O26S8.8Na/c54-48-60-50(64-52(62-48)58-34-19-26(96(72,73)74)15-23-17-38(100(84,85)86)42(44(70)40(23)34)68-66-32-12-10-28-30(46(32)102(90,91)92)6-2-8-36(28)98(78,79)80)56-21-22-4-1-5-25(14-22)57-51-61-49(55)63-53(65-51)59-35-20-27(97(75,76)77)16-24-18-39(101(87,88)89)43(45(71)41(24)35)69-67-33-13-11-29-31(47(33)103(93,94)95)7-3-9-37(29)99(81,82)83;;;;;;;;/h1-20,70-71H,21H2,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;;;;;/q;8*+1/p-8