Chem
J-GLOBAL ID：200907054154968078
Nikkaji number：J1.160.338F
2-Methoxy-3,5-bis(heptadecafluorooctyl)benzoic acid methyl ester
2-メトキシ-3,5-ビス(ヘプタデカフルオロオクチル)安息香酸メチル
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
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
Molecular formula： C25H8F34O3
Molecular formula furigana： C25-H8-F34-O3
Molecular weight： 1002.282
InChI：
InChI=1S/C25H8F34O3/c1-61-8-6(9(60)62-2)3-5(10(26,27)12(30,31)14(34,35)16(38,39)18(42,43)20(46,47)22(50,51)24(54,55)56)4-7(8)11(28,29)13(32,33)15(36,37)17(40,41)19(44,45)21(48,49)23(52,53)25(57,58)59/h3-4H,1-2H3
InChI key：
HFVAPJGKCQWRKU-UHFFFAOYSA-N
SMILES：
COC(=O)c1cc(cc(c1OC)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)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
Systematic name (3)：
- 2-メトキシ-3,5-ビス(ヘプタデカフルオロオクチル)安息香酸メチル
- メチル 3,5-ビス(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-ヘプタデカフルオロオクチル)-2-メトキシベンゾアート
- methyl 3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-methoxybenzoate
- 2-Methoxy-3,5-bis(heptadecafluorooctyl)benzoic acid methyl ester
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