Chem
J-GLOBAL ID：201107027002516156   Nikkaji number：J2.946.038H

2′,2′′′,2′′′′′-Tris(hydroxymethyl)-4′′′′′-chloro-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-sexibenzene-3-carboxylic acid methyl ester

2′,2′′′,2′′′′′-トリス(ヒドロキシメチル)-4′′′′′-クロロ-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-セキシベンゼン-3-カルボン酸メチル
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： C41H33ClO5
Molecular formula furigana： C41-H33-CL-O5
Molecular weight： 641.160
InChI： InChI=1S/C41H33ClO5/c1-47-41(46)33-4-2-3-32(21-33)40-17-14-31(20-35(40)24-44)27-5-9-28(10-6-27)38-16-13-30(19-34(38)23-43)26-7-11-29(12-8-26)39-18-15-37(42)22-36(39)25-45/h2-22,43-45H,23-25H2,1H3
InChI key： XUOVFJQXCOJPBT-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc(c1)c1ccc(cc1CO)c1ccc(cc1)c1ccc(cc1CO)c1ccc(cc1)c1ccc(Cl)cc1CO
Systematic name  (3)：
  • 2′,2′′′,2′′′′′-トリス(ヒドロキシメチル)-4′′′′′-クロロ-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-セキシベンゼン-3-カルボン酸メチル
  • メチル 4'-{4'-[4'-クロロ-2'-(ヒドロキシメチル)-[1,1'-ビフェニル]-4-イル]-2'-(ヒドロキシメチル)-[1,1'-ビフェニル]-4-イル}-2'-(ヒドロキシメチル)-[1,1'-ビフェニル]-3-カルボキシラート
  • methyl 4'-{4'-[4'-chloro-2'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl]-2'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl}-2'-(hydroxymethyl)-[1,1'-biphenyl]-3-carboxylate
Other name (1)：
  • 2′,2′′′,2′′′′′-Tris(hydroxymethyl)-4′′′′′-chloro-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-sexibenzene-3-carboxylic acid methyl ester
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