Chem
J-GLOBAL ID:200907051656738433   Nikkaji number:J2.666.831J

(aS)-1,3′-[2-Isopropoxy-5-(dibutylaminomethyl)-1,3-phenylenebismethylene]-5-hydroxy[1′,3-(2-isopropoxy-1,3-phenylenebismethylene)bis(2-isopropoxybenzene)]

(aS)-1,3′-[2-イソプロポキシ-5-(ジブチルアミノメチル)-1,3-フェニレンビスメチレン]-5-ヒドロキシ[1′,3-(2-イソプロポキシ-1,3-フェニレンビスメチレン)ビス(2-イソプロポキシベンゼン)]
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: C49H67NO5
Molecular formula furigana: C49-H67-N-O5
Molecular weight: 750.077
InChI: InChI=1S/C49H67NO5/c1-11-13-21-50(22-14-12-2)31-36-23-41-26-39-19-15-17-37(46(39)52-32(3)4)25-38-18-16-20-40(47(38)53-33(5)6)27-43-29-45(51)30-44(49(43)55-35(9)10)28-42(24-36)48(41)54-34(7)8/h15-20,23-24,29-30,32-35,51H,11-14,21-22,25-28,31H2,1-10H3
InChI key: ZPLDRCJWTWTRTC-UHFFFAOYSA-N
SMILES: CCCCN(CCCC)Cc1cc2Cc3cccc(Cc4cccc(Cc5cc(O)cc(Cc(c1)c2OC(C)C)c5OC(C)C)c4OC(C)C)c3OC(C)C
Systematic name  (1):
  • (aS)-1,3′-[2-イソプロポキシ-5-(ジブチルアミノメチル)-1,3-フェニレンビスメチレン]-5-ヒドロキシ[1′,3-(2-イソプロポキシ-1,3-フェニレンビスメチレン)ビス(2-イソプロポキシベンゼン)]
Other name (1):
  • (aS)-1,3′-[2-Isopropoxy-5-(dibutylaminomethyl)-1,3-phenylenebismethylene]-5-hydroxy[1′,3-(2-isopropoxy-1,3-phenylenebismethylene)bis(2-isopropoxybenzene)]
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