Chem
J-GLOBAL ID:200907017105646151   Nikkaji number:J2.698.007K

N′,N′′-(4,6-Dimethoxy-1,3-phenylene)-N′′′,N′′′′-(4,6-dimethoxy-1,3-phenylene)-N′′′′′,N-(4,6-dimethoxy-1,3-phenylene)tris[4,6-bis[(3R)-3,7-dimethyl-1,4-dioxaoctane-1-yl]isophthalamide]

N′,N′′-(4,6-ジメトキシ-1,3-フェニレン)-N′′′,N′′′′-(4,6-ジメトキシ-1,3-フェニレン)-N′′′′′,N-(4,6-ジメトキシ-1,3-フェニレン)トリス[4,6-ビス[(3R)-3,7-ジメチル-1,4-ジオキサオクタン-1-イル]イソフタルアミド]
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: C96H138N6O24
Molecular formula furigana: C96-H138-N6-O24
Molecular weight: 1760.178
InChI: InChI=1S/C96H138N6O24/c1-55(2)25-31-115-61(13)49-121-79-43-80(122-50-62(14)116-32-26-56(3)4)68-37-67(79)91(103)97-73-40-74(86(110-20)46-85(73)109-19)99-93(105)69-38-70(82(124-52-64(16)118-34-28-58(7)8)44-81(69)123-51-63(15)117-33-27-57(5)6)95(107)101-77-42-78(90(114-24)48-89(77)113-23)102-96(108)72-39-71(94(106)100-76-41-75(98-92(68)104)87(111-21)47-88(76)112-22)83(125-53-65(17)119-35-29-59(9)10)45-84(72)126-54-66(18)120-36-30-60(11)12/h37-48,55-66H,25-36,49-54H2,1-24H3,(H,97,103)(H,98,104)(H,99,105)(H,100,106)(H,101,107)(H,102,108)
InChI key: VMXWXJPGQXSNKA-UHFFFAOYSA-N
SMILES: COc1cc(OC)c2cc1NC(=O)c1cc(c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C)C(=O)Nc1cc(NC(=O)c3cc(c(OCC(C)OCCC(C)C)cc3OCC(C)OCCC(C)C)C(=O)Nc3cc(NC(=O)c4cc(c(OCC(C)OCCC(C)C)cc4OCC(C)OCCC(C)C)C(=O)N2)c(OC)cc3OC)c(OC)cc1OC
Systematic name  (1):
  • N′,N′′-(4,6-ジメトキシ-1,3-フェニレン)-N′′′,N′′′′-(4,6-ジメトキシ-1,3-フェニレン)-N′′′′′,N-(4,6-ジメトキシ-1,3-フェニレン)トリス[4,6-ビス[(3R)-3,7-ジメチル-1,4-ジオキサオクタン-1-イル]イソフタルアミド]
Other name (1):
  • N′,N′′-(4,6-Dimethoxy-1,3-phenylene)-N′′′,N′′′′-(4,6-dimethoxy-1,3-phenylene)-N′′′′′,N-(4,6-dimethoxy-1,3-phenylene)tris[4,6-bis[(3R)-3,7-dimethyl-1,4-dioxaoctane-1-yl]isophthalamide]
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