Chem
J-GLOBAL ID:200907002423409188
Nikkaji number:J2.453.741B
(3aS)-3,3-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1-methoxy-1,3,3a,4,5,6-hexahydro-2-oxa-6a-aza-1-borapentalene
(3aS)-1-メトキシ-3,3-ビス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)-ヘキサヒドロピロロ[1,2-c][1,3,2]オキサザボロール
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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:
C22 H18 BF26 NO2
Molecular formula furigana:
C22-H18-B-F26-N-O2
Molecular weight:
833.160
InChI:
InChI=1S/C22H18BF26NO2/c1-51-23-50-8-2-3-9(50)10(52-23,4-6-11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(44,45)46)5-7-12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)22(47,48)49/h9H,2-8H2,1H3/t9-/m0/s1
InChI key:
SLSKCGUHRNXMJU-VIFPVBQESA-N
SMILES:
COB1OC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]2CCCN12
Systematic name (3):
(3aS)-3,3-ビス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)-1-メトキシ-1,3,3a,4,5,6-ヘキサヒドロ-2-オキサ-6a-アザ-1-ボラペンタレン
(3aS)-1-メトキシ-3,3-ビス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)-ヘキサヒドロピロロ[1,2-c][1,3,2]オキサザボロール
(3aS)-1-methoxy-3,3-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole
Other name (1):
(3aS)-3,3-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1-methoxy-1,3,3a,4,5,6-hexahydro-2-oxa-6a-aza-1-borapentalene
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