Chem
J-GLOBAL ID：200907076698314024
Nikkaji number：J2.051.755G
(1,2,4,5-2H4)Benzene-1-radical cation
(1,2,4,5-2H4)ベンゼン-1-イウム-1-イル
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： C5[C+]H2[2H]4
Molecular formula furigana： C6-H6
Molecular weight： 82.138
InChI：
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/q+1/i1D,2D,5D,6D
InChI key：
HAIIYTFJFNJWGT-NMRLXUNGSA-N
SMILES：
c1([2H])cc([2H])[c+]([2H])cc1[2H]
Systematic name (3)：
- (1,2,4,5-2H4)ベンゼン-1-ラジカルカチオン
- (1,2,4,5-2H4)ベンゼン-1-イウム-1-イル
- (1,2,4,5-2H4)benzen-1-ium-1-yl
- (1,2,4,5-2H4)Benzene-1-radical cation
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