C.I.荧光增白剂166

Disodium 4,4'-bis((4-((4-(aminosulphonyl)phenyl)amino)-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate · CAS 35201-95-7

中文名: C.I.荧光增白剂166
中文别名: 暂无
英文名: Disodium 4,4'-bis((4-((4-(aminosulphonyl)phenyl)amino)-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
CAS: 35201-95-7
CID: 14993875
IUPAC 名称: disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

名称与编号

中文名: C.I.荧光增白剂166
中文别名: 暂无
英文名: Disodium 4,4'-bis((4-((4-(aminosulphonyl)phenyl)amino)-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
CAS: 35201-95-7
CID: 14993875
IUPAC 名称: disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfamoylanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

分子属性

分子式: C40H44N14Na2O14S4
分子量: 1119.1 g/mol
精确质量: 1118.18396539 Da
单同位素质量: 1118.18396539 Da
XLogP: 暂无
极性表面积: 481 Å²
氢键供体: 10
氢键受体: 28
可旋转键: 22
重原子数: 74
净电荷: 0
结构复杂度: 1970

结构标识

InChIKey: DGWHWVFMLNUDBP-SEPHDYHBSA-L
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)N)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)N.[Na+].[Na+]
InChI: InChI=1S/C40H46N14O14S4.2Na/c41-69(59,60)31-11-7-27(8-12-31)43-35-47-37(51-39(49-35)53(15-19-55)16-20-56)45-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)46-38-48-36(50-40(52-38)54(17-21-57)18-22-58)44-28-9-13-32(14-10-28)70(42,61)62;;/h1-14,23-24,55-58H,15-22H2,(H2,41,59,60)(H2,42,61,62)(H,63,64,65)(H,66,67,68)(H2,43,45,47,49,51)(H2,44,46,48,50,52);;/q;2*+1/p-2/b2-1+;;