7-[[4-[[3-(氨基磺酰基)苯基]氨基]-6-苯氨基-1,3,5-三嗪-2-基]氨基]-4-羟-3-[[2-磺基-4-[(4-磺苯基) 偶氮]苯基]偶氮]-2-萘磺酸三钠盐

Trisodium 7-((4-((3-(aminosulphonyl)phenyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate · CAS 79135-80-1

中文名: 7-[[4-[[3-(氨基磺酰基)苯基]氨基]-6-苯氨基-1,3,5-三嗪-2-基]氨基]-4-羟-3-[[2-磺基-4-[(4-磺苯基) 偶氮]苯基]偶氮]-2-萘磺酸三钠盐
中文别名: 暂无
英文名: Trisodium 7-((4-((3-(aminosulphonyl)phenyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate
CAS: 79135-80-1
CID: 135853947
IUPAC 名称: trisodium;7-[[4-anilino-6-(3-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate

名称与编号

中文名: 7-[[4-[[3-(氨基磺酰基)苯基]氨基]-6-苯氨基-1,3,5-三嗪-2-基]氨基]-4-羟-3-[[2-磺基-4-[(4-磺苯基) 偶氮]苯基]偶氮]-2-萘磺酸三钠盐
中文别名: 暂无
英文名: Trisodium 7-((4-((3-(aminosulphonyl)phenyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate
CAS: 79135-80-1
CID: 135853947
IUPAC 名称: trisodium;7-[[4-anilino-6-(3-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate

分子属性

分子式: C37H26N11Na3O12S4
分子量: 1013.9 g/mol
精确质量: 1013.03383285 Da
单同位素质量: 1013.03383285 Da
XLogP: 暂无
极性表面积: 410 Å²
氢键供体: 5
氢键受体: 23
可旋转键: 11
重原子数: 67
净电荷: 0
结构复杂度: 2030

结构标识

InChIKey: TZEBJHPUOJWOMO-UHFFFAOYSA-K
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C(C=C(C=C5)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC7=CC(=CC=C7)S(=O)(=O)N.[Na+].[Na+].[Na+]
InChI: InChI=1S/C37H29N11O12S4.3Na/c38-61(50,51)28-8-4-7-24(19-28)40-36-42-35(39-22-5-2-1-3-6-22)43-37(44-36)41-25-11-15-29-21(17-25)18-32(64(58,59)60)33(34(29)49)48-47-30-16-12-26(20-31(30)63(55,56)57)46-45-23-9-13-27(14-10-23)62(52,53)54;;;/h1-20,49H,(H2,38,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H3,39,40,41,42,43,44);;;/q;3*+1/p-3