Chem
J-GLOBAL ID：200907002371049200   Nikkaji number：J2.155.331J

1-(Decyloxy)-4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)oxy]-1,3,5-cycloheptatriene-7-one

1-(デシルオキシ)-4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘニコサフルオロドデシル)オキシ]-1,3,5-シクロヘプタトリエン-7-オン
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： C29H29F21O3
Molecular formula furigana： C29-H29-F21-O3
Molecular weight： 824.514
InChI： InChI=1S/C29H29F21O3/c1-2-3-4-5-6-7-8-9-15-53-19-13-11-17(10-12-18(19)51)52-16-14-20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)50/h10-13H,2-9,14-16H2,1H3
InChI key： OBHYELKCGPMOPT-UHFFFAOYSA-N
SMILES： CCCCCCCCCCOc1ccc(OCCC(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)C(F)(F)F)ccc1=O
Systematic name  (3)：
  • 1-(デシルオキシ)-4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘニコサフルオロドデシル)オキシ]-1,3,5-シクロヘプタトリエン-7-オン
  • 2-(デシルオキシ)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘンイコサフルオロドデシル)オキシ]シクロヘプタ-2,4,6-トリエン-1-オン
  • 2-(decyloxy)-5-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)oxy]cyclohepta-2,4,6-trien-1-one
Other name (1)：
  • 1-(Decyloxy)-4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)oxy]-1,3,5-cycloheptatriene-7-one
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