Chem
J-GLOBAL ID：201707020768213783
Nikkaji number：J3.583.216E
2,2′,2′′-[Nitrilotris(1,3-butanediyl)trisiminotrismethylene]tris(6-methoxyphenol)
2,2′,2′′-[ニトリロトリス(1,3-ブタンジイル)トリスイミノトリスメチレン]トリス(6-メトキシフェノール)
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： C36H54N4O6
Molecular formula furigana： C36-H54-N4-O6
Molecular weight： 638.850
InChI：
InChI=1S/C36H54N4O6/c1-25(37-22-28-10-7-13-31(44-4)34(28)41)16-19-40(20-17-26(2)38-23-29-11-8-14-32(45-5)35(29)42)21-18-27(3)39-24-30-12-9-15-33(46-6)36(30)43/h7-15,25-27,37-39,41-43H,16-24H2,1-6H3
InChI key：
KXUUTHMDUHGFJC-UHFFFAOYSA-N
SMILES：
COc1cccc(CNC(C)CCN(CCC(C)NCc2cccc(OC)c2O)CCC(C)NCc2cccc(OC)c2O)c1O
Systematic name (3)：
- 2,2′,2′′-[ニトリロトリス(1,3-ブタンジイル)トリスイミノトリスメチレン]トリス(6-メトキシフェノール)
- 2-[({4-[ビス(3-{[(2-ヒドロキシ-3-メトキシフェニル)メチル]アミノ}ブチル)アミノ]ブタン-2-イル}アミノ)メチル]-6-メトキシフェノール
- 2-[({4-[bis(3-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}butyl)amino]butan-2-yl}amino)methyl]-6-methoxyphenol
- 2,2′,2′′-[Nitrilotris(1,3-butanediyl)trisiminotrismethylene]tris(6-methoxyphenol)
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