Chem
J-GLOBAL ID:201707001666154303
Nikkaji number:J3.583.211D
α,α′,α′′-(Nitrilotris(1,3-propanediyl))tris(3,5-di(trifluoromethyl)benzaldehyde)
α,α′,α′′-(ニトリロトリス(1,3-プロパンジイル))トリス(3,5-ジ(トリフルオロメチル)ベンズアルデヒド)
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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:
C36 H27 F18 NO3
Molecular formula furigana:
C36-H27-F18-N-O3
Molecular weight:
863.587
InChI:
InChI=1S/C36H27F18NO3/c37-31(38,39)22-10-19(11-23(16-22)32(40,41)42)28(56)4-1-7-55(8-2-5-29(57)20-12-24(33(43,44)45)17-25(13-20)34(46,47)48)9-3-6-30(58)21-14-26(35(49,50)51)18-27(15-21)36(52,53)54/h10-18H,1-9H2
InChI key:
GVQAHOUOTXECLH-UHFFFAOYSA-N
SMILES:
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)CCCN(CCCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name (3):
α,α′,α′′-(ニトリロトリス(1,3-プロパンジイル))トリス(3,5-ジ(トリフルオロメチル)ベンズアルデヒド)
1-[3,5-ビス(トリフルオロメチル)フェニル]-4-[ビス({4-[3,5-ビス(トリフルオロメチル)フェニル]-4-オキソブチル})アミノ]ブタン-1-オン
1-[3,5-bis(trifluoromethyl)phenyl]-4-[bis({4-[3,5-bis(trifluoromethyl)phenyl]-4-oxobutyl})amino]butan-1-one
Other name (1):
α,α′,α′′-(Nitrilotris(1,3-propanediyl))tris(3,5-di(trifluoromethyl)benzaldehyde)
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