Chem
J-GLOBAL ID：201507005014221190   Nikkaji number：J3.401.237G

(E)-1-Acetoxy-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadecyl]-2-butene

(E)-1-アセトキシ-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロペンタデシル]-2-ブテン
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： C44H35F51O2
Molecular formula furigana： C44-H35-F51-O2
Molecular weight： 1564.681
InChI： InChI=1S/C44H35F51O2/c1-19(96)97-18-10-4-7-13-20(16-17-23(49,50)26(55,56)29(61,62)32(67,68)35(73,74)38(79,80)41(85,86)44(93,94)95,11-5-2-8-14-21(45,46)24(51,52)27(57,58)30(63,64)33(69,70)36(75,76)39(81,82)42(87,88)89)12-6-3-9-15-22(47,48)25(53,54)28(59,60)31(65,66)34(71,72)37(77,78)40(83,84)43(90,91)92/h4,10H,2-3,5-9,11-18H2,1H3/b10-4+
InChI key： WJYLBZWYXRFEPD-ONNFQVAWSA-N
SMILES： CC(=O)OC/C=C/CCC(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCCCCC(F)(F)C(F)(F)C(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)C(F)(F)C(F)(F)F
Systematic name  (3)：
  • (E)-1-アセトキシ-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロペンタデシル]-2-ブテン
  • (2E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-ヘプタデカフルオロ-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-6-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)ノナデカ-2-エン-1-イル アセタート
  • (2E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluoro-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-6-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)nonadec-2-en-1-yl acetate
Other name (1)：
  • (E)-1-Acetoxy-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadecyl]-2-butene
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