Chem
J-GLOBAL ID：201507006379654041   Nikkaji number：J3.401.235K

(E)-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-1-ol

(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-オール
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： C42H33F51O
Molecular formula furigana： C42-H33-F51-O
Molecular weight： 1522.644
InChI： InChI=1S/C42H33F51O/c43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-7-1-4-10-18(12-6-3-9-17-94,15-16-21(47,48)24(53,54)27(59,60)30(65,66)33(71,72)36(77,78)39(83,84)42(91,92)93)11-5-2-8-14-20(45,46)23(51,52)26(57,58)29(63,64)32(69,70)35(75,76)38(81,82)41(88,89)90/h3,9,94H,1-2,4-8,10-17H2/b9-3+
InChI key： MKLKKZPFTPGDNY-YCRREMRBSA-N
SMILES： 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)-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-1-オール
  • (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-オール
  • (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-ol
Other name (1)：
  • (E)-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-1-ol
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