Chem
J-GLOBAL ID：200907045372610917
Nikkaji number：J2.616.158D
5-(Chloroformyl)benzene-1,2,4-tricarboxylic acid tribenzyl ester
5-(クロロホルミル)ベンゼン-1,2,4-トリカルボン酸トリベンジル
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： C31H23ClO7
Molecular formula furigana： C31-H23-CL-O7
Molecular weight： 542.970
InChI：
InChI=1S/C31H23ClO7/c32-28(33)24-16-26(30(35)38-19-22-12-6-2-7-13-22)27(31(36)39-20-23-14-8-3-9-15-23)17-25(24)29(34)37-18-21-10-4-1-5-11-21/h1-17H,18-20H2
InChI key：
QNWLTTCARFYYFY-UHFFFAOYSA-N
SMILES：
ClC(=O)c1cc(C(=O)OCc2ccccc2)c(cc1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Systematic name (3)：
- 5-(クロロホルミル)ベンゼン-1,2,4-トリカルボン酸トリベンジル
- 1,2,4-トリベンジル 5-(カルボノクロリドイル)ベンゼン-1,2,4-トリカルボキシラート
- 1,2,4-tribenzyl 5-(carbonochloridoyl)benzene-1,2,4-tricarboxylate
- 5-(Chloroformyl)benzene-1,2,4-tricarboxylic acid tribenzyl ester
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