Chem
J-GLOBAL ID：200907065797716981
Nikkaji number：J2.593.703A
2-Cyano-4,6-bis(heptadecafluorooctyl)phenol
2-シアノ-4,6-ビス(ヘプタデカフルオロオクチル)フェノール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C23H3F34NO
Molecular formula furigana： C23-H3-F34-N-O
Molecular weight： 955.229
InChI：
InChI=1S/C23H3F34NO/c24-8(25,10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)20(48,49)22(52,53)54)5-1-4(3-58)7(59)6(2-5)9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(46,47)21(50,51)23(55,56)57/h1-2,59H
InChI key：
QDTLYMCKKUDUNX-UHFFFAOYSA-N
SMILES：
Oc1c(cc(cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C#N
Systematic name (4)：
- 2-シアノ-4,6-ビス(ヘプタデカフルオロオクチル)フェノール
- 2-ヒドロキシ-3,5-ビス(ヘプタデカフルオロオクチル)ベンゾニトリル
- 3,5-ビス(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロオクチル)-2-ヒドロキシベンゾニトリル
- 3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxybenzonitrile
- 2-Cyano-4,6-bis(heptadecafluorooctyl)phenol
- 2-Hydroxy-3,5-bis(heptadecafluorooctyl)benzonitrile
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