Chem
J-GLOBAL ID：201607012251834885   Nikkaji number：J3.535.257K

4,4′′-(1,10-Decanediylbisoxy)bis[biphenyl-4′-carboxylic acid (1S,4R)-menthyl] ester

4,4′′-(1,10-デカンジイルビスオキシ)ビス[ビフェニル-4′-カルボン酸(1S,4R)-メンチル]
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： C56H74O6
Molecular formula furigana： C56-H74-O6
Molecular weight： 843.202
InChI： InChI=1S/C56H74O6/c1-39(2)51-33-15-41(5)37-53(51)61-55(57)47-21-17-43(18-22-47)45-25-29-49(30-26-45)59-35-13-11-9-7-8-10-12-14-36-60-50-31-27-46(28-32-50)44-19-23-48(24-20-44)56(58)62-54-38-42(6)16-34-52(54)40(3)4/h17-32,39-42,51-54H,7-16,33-38H2,1-6H3/t41-,42-,51+,52+,53?,54?/m0/s1
InChI key： WMNNCQFDOMAIDE-MZYSPECSSA-N
SMILES： CC(C)[C@H]1CC[C@H](C)CC1OC(=O)c1ccc(cc1)c1ccc(OCCCCCCCCCCOc2ccc(cc2)c2ccc(cc2)C(=O)OC2C[C@@H](C)CC[C@@H]2C(C)C)cc1
Systematic name  (3)：
  • 4,4′′-(1,10-デカンジイルビスオキシ)ビス[ビフェニル-4′-カルボン酸(1S,4R)-メンチル]
  • (2R,5S)-5-メチル-2-(プロパン-2-イル)シクロヘキシル 4'-[(10-{[4'-({[(2R,5S)-5-メチル-2-(プロパン-2-イル)シクロヘキシル]オキシ}カルボニル)-[1,1'-ビフェニル]-4-イル]オキシ}デシル)オキシ]-[1,1'-ビフェニル]-4-カルボキシラート
  • (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 4'-[(10-{[4'-({[(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)-[1,1'-biphenyl]-4-yl]oxy}decyl)oxy]-[1,1'-biphenyl]-4-carboxylate
Other name (1)：
  • 4,4′′-(1,10-Decanediylbisoxy)bis[biphenyl-4′-carboxylic acid (1S,4R)-menthyl] ester
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