Chem
J-GLOBAL ID：201407040226340710   Nikkaji number：J3.304.384H

4,4′′,4′′′′-(1,3,5-Benzenetriyl)tris(3-chlorobiphenyl-3′,5′-dicarboxylic acid)

4,4′′,4′′′′-(1,3,5-ベンゼントリイル)トリス(3-クロロビフェニル-3′,5′-ジカルボン酸)
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： C48H27Cl3O12
Molecular formula furigana： C48-H27-CL3-O12
Molecular weight： 902.080
InChI： InChI=1S/C48H27Cl3O12/c49-40-19-22(25-7-31(43(52)53)16-32(8-25)44(54)55)1-4-37(40)28-13-29(38-5-2-23(20-41(38)50)26-9-33(45(56)57)17-34(10-26)46(58)59)15-30(14-28)39-6-3-24(21-42(39)51)27-11-35(47(60)61)18-36(12-27)48(62)63/h1-21H,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)
InChI key： WINKLWMDTCAIPD-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(cc(c1)c1ccc(c(Cl)c1)c1cc(cc(c1)c1ccc(cc1Cl)c1cc(cc(c1)C(=O)O)C(=O)O)c1ccc(cc1Cl)c1cc(cc(c1)C(=O)O)C(=O)O)C(=O)O
Systematic name  (3)：
  • 4,4′′,4′′′′-(1,3,5-ベンゼントリイル)トリス(3-クロロビフェニル-3′,5′-ジカルボン酸)
  • 3'-クロロ-4'-(2'-クロロ-5-{3',5'-ジカルボキシ-3-クロロ-[1,1'-ビフェニル]-4-イル}-4'-(3,5-ジカルボキシフェニル)-[1,1'-ビフェニル]-3-イル)-[1,1'-ビフェニル]-3,5-ジカルボン酸
  • 3'-chloro-4'-(2'-chloro-5-{3',5'-dicarboxy-3-chloro-[1,1'-biphenyl]-4-yl}-4'-(3,5-dicarboxyphenyl)-[1,1'-biphenyl]-3-yl)-[1,1'-biphenyl]-3,5-dicarboxylic acid
Other name (1)：
  • 4,4′′,4′′′′-(1,3,5-Benzenetriyl)tris(3-chlorobiphenyl-3′,5′-dicarboxylic acid)
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