Chem
J-GLOBAL ID：200907068984227721
Nikkaji number：J2.343.982D
3-[4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)amino]benzoyl]benzoxazole-2(3H)-thione
3-[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)アミノ]ベンゾイル]ベンゾオキサゾール-2(3H)-チオン
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： C22H13F13N2O2S
Molecular formula furigana： C22-H13-F13-N2-O2-S
Molecular weight： 616.400
InChI：
InChI=1S/C22H13F13N2O2S/c23-17(24,18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35)9-10-36-12-7-5-11(6-8-12)15(38)37-13-3-1-2-4-14(13)39-16(37)40/h1-8,36H,9-10H2
InChI key：
SJPZHUMLBGPILP-UHFFFAOYSA-N
SMILES：
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCNc1ccc(cc1)C(=O)n1c2ccccc2oc1=S
Systematic name (3)：
- 3-[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)アミノ]ベンゾイル]ベンゾオキサゾール-2(3H)-チオン
- 3-{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)アミノ]ベンゾイル}-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-チオン
- 3-{4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]benzoyl}-2,3-dihydro-1,3-benzoxazole-2-thione
- 3-[4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)amino]benzoyl]benzoxazole-2(3H)-thione
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