Chem
J-GLOBAL ID:200907051140289560   Nikkaji number:J1.238.843H

4-(Octyloxy)benzoic acid 4′-[1-methyl-2-(hexyloxy)-2-oxoethoxy]biphenyl-4-yl ester

4-(オクチルオキシ)安息香酸4′-[1-メチル-2-(ヘキシルオキシ)-2-オキソエトキシ]ビフェニル-4-イル
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: C36H46O6
Molecular formula furigana: C36-H46-O6
Molecular weight: 574.758
InChI: InChI=1S/C36H46O6/c1-4-6-8-10-11-13-26-39-32-20-18-31(19-21-32)36(38)42-34-24-16-30(17-25-34)29-14-22-33(23-15-29)41-28(3)35(37)40-27-12-9-7-5-2/h14-25,28H,4-13,26-27H2,1-3H3
InChI key: YSUGBPLWNZCOKP-UHFFFAOYSA-N
SMILES: CCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(OC(C)C(=O)OCCCCCC)cc1
Systematic name  (3):
  • 4-(オクチルオキシ)安息香酸4′-[1-メチル-2-(ヘキシルオキシ)-2-オキソエトキシ]ビフェニル-4-イル
  • 4'-{[1-(ヘキシルオキシ)-1-オキソプロパン-2-イル]オキシ}-[1,1'-ビフェニル]-4-イル 4-(オクチルオキシ)ベンゾアート
  • 4'-{[1-(hexyloxy)-1-oxopropan-2-yl]oxy}-[1,1'-biphenyl]-4-yl 4-(octyloxy)benzoate
Other name (1):
  • 4-(Octyloxy)benzoic acid 4′-[1-methyl-2-(hexyloxy)-2-oxoethoxy]biphenyl-4-yl ester
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