Chem
J-GLOBAL ID：200907049416064007
Nikkaji number：J55.580K
Benzvalene
ベンズバレン
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： C6H6
Molecular formula furigana： C6-H6
Molecular weight： 78.114
InChI：
InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H
InChI key：
VMQPMGHYRISRHO-UHFFFAOYSA-N
SMILES：
C1=CC2C3C1C23
Systematic name (2)：
- トリシクロ[3.1.0.02,6]ヘキサ-3-エン
- tricyclo[3.1.0.02,6]hex-3-ene
- Benzvalene
- ベンズバレン
- Tricyclo[3.1.0.02,6]hex-3-ene
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