Chem
J-GLOBAL ID:200907007844180050   Nikkaji number:J2.656.407G

Bis[4-[4-(dodecyloxy)phenylethynyl]benzoic acid]3,3′-biphenylylene ester

ビス[4-[4-(ドデシルオキシ)フェニルエチニル]安息香酸]3,3′-ビフェニリレン
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: C66H74O6
Molecular formula furigana: C66-H74-O6
Molecular weight: 963.312
InChI: InChI=1S/C66H74O6/c1-3-5-7-9-11-13-15-17-19-21-49-69-61-45-37-55(38-46-61)31-29-53-33-41-57(42-34-53)65(67)71-63-27-23-25-59(51-63)60-26-24-28-64(52-60)72-66(68)58-43-35-54(36-44-58)30-32-56-39-47-62(48-40-56)70-50-22-20-18-16-14-12-10-8-6-4-2/h23-28,33-48,51-52H,3-22,49-50H2,1-2H3
InChI key: JVMPHKDQYLQDJJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCOc1ccc(cc1)C#Cc1ccc(cc1)C(=O)Oc1cccc(c1)c1cccc(OC(=O)c2ccc(cc2)C#Cc2ccc(OCCCCCCCCCCCC)cc2)c1
Systematic name  (3):
  • ビス[4-[4-(ドデシルオキシ)フェニルエチニル]安息香酸]3,3′-ビフェニリレン
  • 3'-(4-{2-[4-(ドデシルオキシ)フェニル]エチニル}ベンゾイルオキシ)-[1,1'-ビフェニル]-3-イル 4-{2-[4-(ドデシルオキシ)フェニル]エチニル}ベンゾアート
  • 3'-(4-{2-[4-(dodecyloxy)phenyl]ethynyl}benzoyloxy)-[1,1'-biphenyl]-3-yl 4-{2-[4-(dodecyloxy)phenyl]ethynyl}benzoate
Other name (1):
  • Bis[4-[4-(dodecyloxy)phenylethynyl]benzoic acid]3,3′-biphenylylene ester
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