Chem
J-GLOBAL ID：200907094580380381
Nikkaji number：J879.966K
5-Benzyl-1,2,4-benzenetricarbonitrile
5-ベンジル-1,2,4-ベンゼントリカルボニトリル
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： C16H9N3
Molecular formula furigana： C16-H9-N3
Molecular weight： 243.269
InChI：
InChI=1S/C16H9N3/c17-9-14-8-16(11-19)15(10-18)7-13(14)6-12-4-2-1-3-5-12/h1-5,7-8H,6H2
InChI key：
ZSPPZFIMMVXZHV-UHFFFAOYSA-N
SMILES：
N#Cc1cc(C#N)c(cc1Cc1ccccc1)C#N
Systematic name (3)：
- 5-ベンジル-1,2,4-ベンゼントリカルボニトリル
- 5-ベンジルベンゼン-1,2,4-トリカルボニトリル
- 5-benzylbenzene-1,2,4-tricarbonitrile
- 5-Benzyl-1,2,4-benzenetricarbonitrile
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