Chem
J-GLOBAL ID：201507011148622205   Nikkaji number：J3.401.236I

(E)-6-[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-hexene-1-ol

(2E)-14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-ヘプタデカフルオロ-8-(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)-8-(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)ヘンイコサ-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： C44H37F51O
Molecular formula furigana： C44-H37-F51-O
Molecular weight： 1550.698
InChI： InChI=1S/C44H37F51O/c45-21(46,24(51,52)27(57,58)30(63,64)33(69,70)36(75,76)39(81,82)42(87,88)89)15-9-4-7-13-20(12-6-2-1-3-11-19-96,17-18-23(49,50)26(55,56)29(61,62)32(67,68)35(73,74)38(79,80)41(85,86)44(93,94)95)14-8-5-10-16-22(47,48)25(53,54)28(59,60)31(65,66)34(71,72)37(77,78)40(83,84)43(90,91)92/h3,11,96H,1-2,4-10,12-19H2/b11-3+
InChI key： BVKDKJCAMSUNFI-QDEBKDIKSA-N
SMILES： OC/C=C/CCCCC(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)-6-[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-ヘキセン-1-オール
  • (2E)-14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-ヘプタデカフルオロ-8-(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)-8-(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)ヘンイコサ-2-エン-1-オール
  • (2E)-14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-heptadecafluoro-8-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-8-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)henicos-2-en-1-ol
Other name (1)：
  • (E)-6-[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-hexene-1-ol
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