CAS 128544-05-8|CAS 126613-06-7|CAS 128575-34-8|(S)-1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethanesulphonate)|1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethanesulphonate)|1-[2-(trifluoromethanesulfonyl...

基本信息

化学结构

分子式

C₂₂H₁₂F₆O₆S₂

分子量

550.4474992

精确质量

549.99794942

电荷

InChI

InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H

InChIKey

OYJLCOSEYYZULE-UHFFFAOYSA-N

Canonic Smiles

O=S(=O)(C(F)(F)F)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)C(F)(F)F)cccc2

Isomeric Smiles

O(c1c(c2c(cccc2)cc1)c1c2c(ccc1OS(=O)(=O)C(F)(F)F)cccc2)S(=O)(=O)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

8.020845

LogD (pH = 7.4)

8.020845

Log P

8.020845

摩尔折射率

114.4622

极化性

48.17863

极化表面积

86.74

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

别名

1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethanesulphonate)(S)-1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethanesulphonate)(R)-1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethanesulphonate)(R)-1,1′-二(2-萘酚)双(三氟甲磺酸酯)(R)-1,1′-联萘-2,2′-二基双(三氟甲磺酸酯)(S)-1,1′-联萘-2,2′-二基双(三氟甲磺酸酯)(R)-(-)-1,1′-Bi-2-naphthol bis(trifluoromethanesulfonate)(S)-(+)-1,1′-Bi-2-naphthol bis(trifluoromethanesulfonate)1,1′-二-2-萘酚双(三氟甲磺酸酯)(R)-1,1′-Bi(2-naphthol) bis(trifluoromethanesulfonate)(S)-(+)-1,1′-二-2-萘酚双(三氟甲磺酸酯)1,1′-Bi-2-naphthol bis(trifluoromethanesulfonate)(R)-(-)-1,1′-二-2-萘酚双(三氟甲磺酸酯)(S)-1,1′-二(2-萘酚)双(三氟甲磺酸酯)(S)-1,1′-Binaphthalene-2,2′-diyl bis(trifluoromethanesulfonate)(R)-1,1′-Binaphthalene-2,2′-diyl bis(trifluoromethanesulfonate)(S)-1,1′-Bi(2-naphthol) bis(trifluoromethanesulfonate)(R)-(-)-1,1'-Bi(2-naphthol) bis(trifluoromethanesulfonate)(S)-(+)-1,1'-Bi(2-naphthol) bis(trifluoromethanesulfonate)(R)-1,1'-Binaphthalene-2,2'-diyl bis(trifluoromethanesulfonate)(S)-1,1'-Binaphthalene-2,2'-diyl bis(trifluoromethanesulfonate)

IUPAC传统名

1-[2-(trifluoromethanesulfonyloxy)naphthalen-1-yl]naphthalen-2-yl trifluoromethanesulfonate

IUPAC标准名

1-[2-(trifluoromethanesulfonyloxy)naphthalen-1-yl]naphthalen-2-yl trifluoromethanesulfonate

名称和标识

数据登录号

MDL号

MFCD00274615

CAS号

128544-05-8126613-06-7128575-34-8

Beilstein号

35791314282753