Chem
J-GLOBAL ID：201107052711823725
Nikkaji number：J2.946.037J
2′-(Hydroxymethyl)-3′′-methoxy-3′′′-chloro-5′′-fluoro-1,1′:4′,1′′:4′′,1′′′-quaterbenzene-3-carboxylic acid methyl ester
2′-(ヒドロキシメチル)-3′′-メトキシ-3′′′-クロロ-5′′-フルオロ-1,1′:4′,1′′:4′′,1′′′-クアテルベンゼン-3-カルボン酸メチル
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： C28H22ClFO4
Molecular formula furigana： C28-H22-CL-F-O4
Molecular weight： 476.930
InChI：
InChI=1S/C28H22ClFO4/c1-33-26-15-21(14-25(30)27(26)19-6-4-8-23(29)13-19)17-9-10-24(22(11-17)16-31)18-5-3-7-20(12-18)28(32)34-2/h3-15,31H,16H2,1-2H3
InChI key：
FNHBZKFHEHSWTD-UHFFFAOYSA-N
SMILES：
COC(=O)c1cccc(c1)c1ccc(cc1CO)c1cc(F)c(c(OC)c1)c1cccc(Cl)c1
Systematic name (3)：
- 2′-(ヒドロキシメチル)-3′′-メトキシ-3′′′-クロロ-5′′-フルオロ-1,1′:4′,1′′:4′′,1′′′-クアテルベンゼン-3-カルボン酸メチル
- メチル 4'-{3'-クロロ-2-フルオロ-6-メトキシ-[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'-{3'-chloro-2-fluoro-6-methoxy-[1,1'-biphenyl]-4-yl}-2'-(hydroxymethyl)-[1,1'-biphenyl]-3-carboxylate
- 2′-(Hydroxymethyl)-3′′-methoxy-3′′′-chloro-5′′-fluoro-1,1′:4′,1′′:4′′,1′′′-quaterbenzene-3-carboxylic acid methyl ester
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