N,N',N''-[磷酰三(氧-2,1-联亚甲 基)]三[N-乙基 -1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8, 8-十七氟代-1-辛烷磺酰胺]的二维分子结构

N,N',N''-[磷酰三(氧-2,1-联亚甲 基)]三[N-乙基 -1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8, 8-十七氟代-1-辛烷磺酰胺]

1-Octanesulfonamide, N,N',N''-[phosphinylidynetris(oxy-2,1-ethanediyl)]tris[N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro- · CAS 2250-98-8

中文名
N,N',N''-[磷酰三(氧-2,1-联亚甲 基)]三[N-乙基 -1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8, 8-十七氟代-1-辛烷磺酰胺]
中文别名
暂无
英文名
1-Octanesulfonamide, N,N',N''-[phosphinylidynetris(oxy-2,1-ethanediyl)]tris[N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
CAS
2250-98-8
CID
21151267
IUPAC 名称
tris[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl] phosphate

名称与编号

中文名
N,N',N''-[磷酰三(氧-2,1-联亚甲 基)]三[N-乙基 -1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8, 8-十七氟代-1-辛烷磺酰胺]
中文别名
暂无
英文名
1-Octanesulfonamide, N,N',N''-[phosphinylidynetris(oxy-2,1-ethanediyl)]tris[N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
CAS
2250-98-8
CID
21151267
IUPAC 名称
tris[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl] phosphate

分子属性

分子式
C36H27F51N3O10PS3
分子量
1757.7 g/mol
精确质量
1756.9781809 Da
单同位素质量
1756.9781809 Da
XLogP
16.2
极性表面积
182 Ų
氢键供体
0
氢键受体
64
可旋转键
39
重原子数
104
净电荷
0
结构复杂度
3040

结构标识

InChIKey
IIDCKPVDJNZQHD-UHFFFAOYSA-N
SMILES
CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C36H27F51N3O10PS3/c1-4-88(102(92,93)34(82,83)28(67,68)22(55,56)16(43,44)13(37,38)19(49,50)25(61,62)31(73,74)75)7-10-98-101(91,99-11-8-89(5-2)103(94,95)35(84,85)29(69,70)23(57,58)17(45,46)14(39,40)20(51,52)26(63,64)32(76,77)78)100-12-9-90(6-3)104(96,97)36(86,87)30(71,72)24(59,60)18(47,48)15(41,42)21(53,54)27(65,66)33(79,80)81/h4-12H2,1-3H3

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