Chem
J-GLOBAL ID：201707013332315525   Nikkaji number：J3.531.323K

4-Methoxybenzoic acid 4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)thio]phenyl ester

4-メトキシ安息香酸4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)チオ]フェニル
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： C22H15F13O3S
Molecular formula furigana： C22-H15-F13-O3-S
Molecular weight： 606.400
InChI： InChI=1S/C22H15F13O3S/c1-37-13-4-2-12(3-5-13)16(36)38-14-6-8-15(9-7-14)39-11-10-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h2-9H,10-11H2,1H3
InChI key： BPDOQUJTXYECKR-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C(=O)Oc1ccc(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
Systematic name  (3)：
  • 4-メトキシ安息香酸4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)チオ]フェニル
  • 4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)スルファニル]フェニル 4-メトキシベンゾアート
  • 4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]phenyl 4-methoxybenzoate
Other name (1)：
  • 4-Methoxybenzoic acid 4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)thio]phenyl ester
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