Chem
J-GLOBAL ID：201107044791390880
Nikkaji number：J2.946.031K
4′′′′-Chloro-1,1′:4′,1′′:4′′,1′′′:3′′′,1′′′′-quinquebenzene-3-carboxylic acid methyl ester
メチル 3-(4'-{4'-クロロ-[1,1'-ビフェニル]-3-イル}-[1,1'-ビフェニル]-4-イル)ベンゾアート
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
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
Molecular formula： C32H23ClO2
Molecular formula furigana： C32-H23-CL-O2
Molecular weight： 474.980
InChI：
InChI=1S/C32H23ClO2/c1-35-32(34)30-7-3-6-29(21-30)25-14-10-23(11-15-25)22-8-12-24(13-9-22)27-4-2-5-28(20-27)26-16-18-31(33)19-17-26/h2-21H,1H3
InChI key：
ZZAXSVXPNOXVAL-UHFFFAOYSA-N
SMILES：
COC(=O)c1cccc(c1)c1ccc(cc1)c1ccc(cc1)c1cccc(c1)c1ccc(Cl)cc1
Systematic name (3)：
- 4′′′′-クロロ-1,1′:4′,1′′:4′′,1′′′:3′′′,1′′′′-キンクエベンゼン-3-カルボン酸メチル
- メチル 3-(4'-{4'-クロロ-[1,1'-ビフェニル]-3-イル}-[1,1'-ビフェニル]-4-イル)ベンゾアート
- methyl 3-(4'-{4'-chloro-[1,1'-biphenyl]-3-yl}-[1,1'-biphenyl]-4-yl)benzoate
- 4′′′′-Chloro-1,1′:4′,1′′:4′′,1′′′:3′′′,1′′′′-quinquebenzene-3-carboxylic acid methyl ester
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