Chem
J-GLOBAL ID：200907027006518600   Nikkaji number：J1.573.046C

2,2′-(Oxybismethylene)-4,4′-bis[4-(dodecyloxy)benzoyloxy]-6,6′-dimethylbiphenyl

2,2′-(オキシビスメチレン)-4,4′-ビス[4-(ドデシルオキシ)ベンゾイルオキシ]-6,6′-ジメチルビフェニル
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： C54H72O7
Molecular formula furigana： C54-H72-O7
Molecular weight： 833.163
InChI： InChI=1S/C54H72O7/c1-5-7-9-11-13-15-17-19-21-23-33-58-47-29-25-43(26-30-47)53(55)60-49-35-41(3)51-45(37-49)39-57-40-46-38-50(36-42(4)52(46)51)61-54(56)44-27-31-48(32-28-44)59-34-24-22-20-18-16-14-12-10-8-6-2/h25-32,35-38H,5-24,33-34,39-40H2,1-4H3
InChI key： CUKPEKBUQLTWCR-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1cc(C)c2c(COCc3cc(OC(=O)c4ccc(OCCCCCCCCCCCC)cc4)cc(C)c23)c1
Systematic name  (3)：
  • 2,2′-(オキシビスメチレン)-4,4′-ビス[4-(ドデシルオキシ)ベンゾイルオキシ]-6,6′-ジメチルビフェニル
  • 13-[4-(ドデシルオキシ)ベンゾイルオキシ]-3,15-ジメチル-9-オキサトリシクロ[9.4.0.02,7]ペンタデカ-1(15),2,4,6,11,13-ヘキサエン-5-イル 4-(ドデシルオキシ)ベンゾアート
  • 13-[4-(dodecyloxy)benzoyloxy]-3,15-dimethyl-9-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl 4-(dodecyloxy)benzoate
Other name (1)：
  • 2,2′-(Oxybismethylene)-4,4′-bis[4-(dodecyloxy)benzoyloxy]-6,6′-dimethylbiphenyl
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