[(羧基甲基)硫代]丁二酸-1,4-双 (3,3,4,4,5,5,6,6,6-九氟己基)酯锂 盐
Bis((perfluorobutyl)ethyl) 2-[(carboxymethyl)thio]butanedioate lithium salt · CAS 503534-33-6
- 中文名
- [(羧基甲基)硫代]丁二酸-1,4-双 (3,3,4,4,5,5,6,6,6-九氟己基)酯锂 盐
- 中文别名
- 暂无
- 英文名
- Bis((perfluorobutyl)ethyl) 2-[(carboxymethyl)thio]butanedioate lithium salt
- CAS
- 503534-33-6
- CID
- 138394521
- IUPAC 名称
- lithium 2-[1,4-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-1,4-dioxobutan-2-yl]sulfanylacetate
名称与编号
- 中文名
- [(羧基甲基)硫代]丁二酸-1,4-双 (3,3,4,4,5,5,6,6,6-九氟己基)酯锂 盐
- 中文别名
- 暂无
- 英文名
- Bis((perfluorobutyl)ethyl) 2-[(carboxymethyl)thio]butanedioate lithium salt
- CAS
- 503534-33-6
- CID
- 138394521
- IUPAC 名称
- lithium 2-[1,4-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-1,4-dioxobutan-2-yl]sulfanylacetate
分子属性
- 分子式
- C18H13F18LiO6S
- 分子量
- 706.3 g/mol
- 精确质量
- 706.0305447 Da
- 单同位素质量
- 706.0305447 Da
- XLogP
- 暂无
- 极性表面积
- 118 Ų
- 氢键供体
- 0
- 氢键受体
- 25
- 可旋转键
- 18
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1000
结构标识
- InChIKey
- ZJVXUOBDUMHYSB-UHFFFAOYSA-M
- SMILES
- [Li+].C(COC(=O)CC(C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)SCC(=O)[O-])C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C18H14F18O6S.Li/c19-11(20,13(23,24)15(27,28)17(31,32)33)1-3-41-9(39)5-7(43-6-8(37)38)10(40)42-4-2-12(21,22)14(25,26)16(29,30)18(34,35)36;/h7H,1-6H2,(H,37,38);/q;+1/p-1