Chem
J-GLOBAL ID:201807009418168495   Nikkaji number:J3.722.302F

N,N′-[4,5,6-Tris(dodecyloxy)-1,3-phenylenebis(methyleneoxy-p-phenyleneazo-p-phenylene)]bis[(3R)-3,7-dimethyloctaneamide]

N,N′-[4,5,6-トリス(ドデシルオキシ)-1,3-フェニレンビス(メチレンオキシ-p-フェニレンアゾ-p-フェニレン)]ビス[(3R)-3,7-ジメチルオクタンアミド]
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: C88H136N6O7
Molecular formula furigana: C88-H136-N6-O7
Molecular weight: 1390.091
InChI: InChI=1S/C88H136N6O7/c1-10-13-16-19-22-25-28-31-34-37-62-97-86-74(68-100-82-58-54-80(55-59-82)93-91-78-50-46-76(47-51-78)89-84(95)65-72(8)44-40-42-70(4)5)67-75(87(98-63-38-35-32-29-26-23-20-17-14-11-2)88(86)99-64-39-36-33-30-27-24-21-18-15-12-3)69-101-83-60-56-81(57-61-83)94-92-79-52-48-77(49-53-79)90-85(96)66-73(9)45-41-43-71(6)7/h46-61,67,70-73H,10-45,62-66,68-69H2,1-9H3,(H,89,95)(H,90,96)/t72-,73-/m1/s1
InChI key: NLPVYKNWIQWDOU-FVROZTDHSA-N
SMILES: CCCCCCCCCCCCOc1c(COc2ccc(cc2)N=Nc2ccc(NC(=O)C[C@H](C)CCCC(C)C)cc2)cc(COc2ccc(cc2)N=Nc2ccc(NC(=O)C[C@H](C)CCCC(C)C)cc2)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
Systematic name  (3):
  • N,N′-[4,5,6-トリス(ドデシルオキシ)-1,3-フェニレンビス(メチレンオキシ-p-フェニレンアゾ-p-フェニレン)]ビス[(3R)-3,7-ジメチルオクタンアミド]
  • (3R)-N-[4-(2-{4-[(5-{[4-(2-{4-[(3R)-3,7-ジメチルオクタンアミド]フェニル}ジアゼン-1-イル)フェノキシ]メチル}-2,3,4-トリス(ドデシルオキシ)フェニル)メトキシ]フェニル}ジアゼン-1-イル)フェニル]-3,7-ジメチルオクタンアミド
  • (3R)-N-[4-(2-{4-[(5-{[4-(2-{4-[(3R)-3,7-dimethyloctanamido]phenyl}diazen-1-yl)phenoxy]methyl}-2,3,4-tris(dodecyloxy)phenyl)methoxy]phenyl}diazen-1-yl)phenyl]-3,7-dimethyloctanamide
Other name (1):
  • N,N′-[4,5,6-Tris(dodecyloxy)-1,3-phenylenebis(methyleneoxy-p-phenyleneazo-p-phenylene)]bis[(3R)-3,7-dimethyloctaneamide]
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