Chem
J-GLOBAL ID:201407059574204318
Nikkaji number:J3.330.226F
(1S,4S)-3-(2,2,3,3,4,4,4-Heptafluorobutyryl)-7,7-dimethylbicyclo[2.2.1]heptane-2-ol anion
(1S,4S)-3-(2,2,3,3,4,4,4-ヘプタフルオロブタノイル)-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オラート
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Substance type:
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
Molecular formula:
C13 H14 F7 O[O-]
Molecular formula furigana:
C13-H14-F7-O2
Molecular weight:
335.242
InChI:
InChI=1S/C13H14F7O2/c1-10(2)5-3-4-6(10)8(21)7(5)9(22)11(14,15)12(16,17)13(18,19)20/h5-8H,3-4H2,1-2H3/q-1/t5-,6+,7?,8?/m0/s1
InChI key:
ZQBJBBCCKDVUDY-JAFIHTMFSA-N
SMILES:
CC1(C)[C@@H]2CC[C@H]1C(C2[O-])C(=O)C(F)(F)C(F)(F)C(F)(F)F
Systematic name (3):
(1S,4S)-3-(2,2,3,3,4,4,4-ヘプタフルオロブチリル)-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オールアニオン
(1S,4S)-3-(2,2,3,3,4,4,4-ヘプタフルオロブタノイル)-7,7-ジメチルビシクロ[2.2.1]ヘプタン-2-オラート
(1S,4S)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-olate
Other name (1):
(1S,4S)-3-(2,2,3,3,4,4,4-Heptafluorobutyryl)-7,7-dimethylbicyclo[2.2.1]heptane-2-ol anion
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