2,2'-(1E)-1,2-乙烯二基双 [5-[[4-(甲氨基)-6-[[4-[(甲氨基)羰基]苯基]氨基]-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐

Benzenesulfonic acid, 2,2'-(1E)-1,2-ethenediylbis[5-[[4-(methylamino)-6-[[4-[(methylamino)carbonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2) · CAS 180850-95-7

中文名: 2,2'-(1E)-1,2-乙烯二基双 [5-[[4-(甲氨基)-6-[[4-[(甲氨基)羰基]苯基]氨基]-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐
中文别名: 暂无
英文名: Benzenesulfonic acid, 2,2'-(1E)-1,2-ethenediylbis[5-[[4-(methylamino)-6-[[4-[(methylamino)carbonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
CAS: 180850-95-7
CID: 11251609
IUPAC 名称: disodium;5-[[4-(methylamino)-6-[4-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(methylamino)-6-[4-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

名称与编号

中文名: 2,2'-(1E)-1,2-乙烯二基双 [5-[[4-(甲氨基)-6-[[4-[(甲氨基)羰基]苯基]氨基]-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐
中文别名: 暂无
英文名: Benzenesulfonic acid, 2,2'-(1E)-1,2-ethenediylbis[5-[[4-(methylamino)-6-[[4-[(methylamino)carbonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
CAS: 180850-95-7
CID: 11251609
IUPAC 名称: disodium;5-[[4-(methylamino)-6-[4-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(methylamino)-6-[4-(methylcarbamoyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

分子属性

分子式: C38H36N14Na2O8S2
分子量: 926.9 g/mol
精确质量: 926.20773507 Da
单同位素质量: 926.20773507 Da
XLogP: 暂无
极性表面积: 339 Å²
氢键供体: 8
氢键受体: 20
可旋转键: 14
重原子数: 64
净电荷: 0
结构复杂度: 1560

结构标识

InChIKey: DWKCAMWJSUOVAN-TXOOBNKBSA-L
SMILES: CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)C(=O)NC)NC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=C(C=C6)C(=O)NC.[Na+].[Na+]
InChI: InChI=1S/C38H38N14O8S2.2Na/c1-39-31(53)23-9-13-25(14-10-23)43-35-47-33(41-3)49-37(51-35)45-27-17-7-21(29(19-27)61(55,56)57)5-6-22-8-18-28(20-30(22)62(58,59)60)46-38-50-34(42-4)48-36(52-38)44-26-15-11-24(12-16-26)32(54)40-2;;/h5-20H,1-4H3,(H,39,53)(H,40,54)(H,55,56,57)(H,58,59,60)(H3,41,43,45,47,49,51)(H3,42,44,46,48,50,52);;/q;2*+1/p-2/b6-5+;;