Chem
J-GLOBAL ID:200907083607874622
Nikkaji number:J2.330.129F
N,N′,N′′-[Nitrilotris(4,1-phenylene)]tris[3,4-bis(octyloxy)benzamide]
N,N′,N′′-[ニトリロトリス(4,1-フェニレン)]トリス[3,4-ビス(オクチルオキシ)ベンズアミド]
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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:
C87 H126 N4 O9
Molecular formula furigana:
C87-H126-N4-O9
Molecular weight:
1371.984
InChI:
InChI=1S/C87H126N4O9/c1-7-13-19-25-31-37-61-95-79-58-43-70(67-82(79)98-64-40-34-28-22-16-10-4)85(92)88-73-46-52-76(53-47-73)91(77-54-48-74(49-55-77)89-86(93)71-44-59-80(96-62-38-32-26-20-14-8-2)83(68-71)99-65-41-35-29-23-17-11-5)78-56-50-75(51-57-78)90-87(94)72-45-60-81(97-63-39-33-27-21-15-9-3)84(69-72)100-66-42-36-30-24-18-12-6/h43-60,67-69H,7-42,61-66H2,1-6H3,(H,88,92)(H,89,93)(H,90,94)
InChI key:
DRKMXGAGCNVIMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1OCCCCCCCC)C(=O)Nc1ccc(cc1)N(c1ccc(NC(=O)c2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)cc1)c1ccc(NC(=O)c2ccc(OCCCCCCCC)c(OCCCCCCCC)c2)cc1
Systematic name (3):
N,N′,N′′-[ニトリロトリス(4,1-フェニレン)]トリス[3,4-ビス(オクチルオキシ)ベンズアミド]
N-{4-[ビス({4-[3,4-ビス(オクチルオキシ)ベンズアミド]フェニル})アミノ]フェニル}-3,4-ビス(オクチルオキシ)ベンズアミド
N-{4-[bis({4-[3,4-bis(octyloxy)benzamido]phenyl})amino]phenyl}-3,4-bis(octyloxy)benzamide
Other name (1):
N,N′,N′′-[Nitrilotris(4,1-phenylene)]tris[3,4-bis(octyloxy)benzamide]
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