Chem
J-GLOBAL ID：200907047242983714   Nikkaji number：J906.310B

3-Nitro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyloxy)benzoic acid ethyl ester

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)安息香酸エチル
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： C19H12F17[N+]O4[O-]
Molecular formula furigana： C19-H12-F17-N-O5
Molecular weight： 657.280
InChI： InChI=1S/C19H12F17NO5/c1-2-41-11(38)8-3-4-10(9(7-8)37(39)40)42-6-5-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-4,7H,2,5-6H2,1H3
InChI key： LWKGIEJUSYIKHM-UHFFFAOYSA-N
SMILES： CCOC(=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  (5)：
  • 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-ニトロ安息香酸エチル
  • 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]安息香酸エチル
  • 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)安息香酸エチル
  • エチル 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
  • ethyl 4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy]-3-nitrobenzoate
Other name (3)：
  • 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyloxy)-3-nitrobenzoic acid ethyl 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 ethyl ester
  • 3-Nitro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyloxy)benzoic acid ethyl ester
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