Chem
J-GLOBAL ID：200907022843199139   Nikkaji number：J906.309I

4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyloxy)-3-nitrobenzoic acid methyl ester

4-(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オキシ)-3-ニトロ安息香酸メチル
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： C18H10F17[N+]O4[O-]
Molecular formula furigana： C18-H10-F17-N-O5
Molecular weight： 643.253
InChI： InChI=1S/C18H10F17NO5/c1-40-10(37)7-2-3-9(8(6-7)36(38)39)41-5-4-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-3,6H,4-5H2,1H3
InChI key： QHPFTLMJDZDUOF-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(OCCC(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(c1)[N+](=O)[O-]
Systematic name  (4)：
  • 4-(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オキシ)-3-ニトロ安息香酸メチル
  • 3-ニトロ-4-[(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)オキシ]安息香酸メチル
  • メチル 4-[(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)オキシ]-3-ニトロベンゾアート
  • methyl 4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy]-3-nitrobenzoate
Other name (2)：
  • 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyloxy)-3-nitrobenzoic acid methyl ester
  • 3-Nitro-4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy]benzoic acid methyl ester
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