Chem
J-GLOBAL ID：200907065734381831
Nikkaji number：J2.330.108C
α,α-Dihydroperoxy-4-nitrotoluene
(4-ニトロフェニル)メタンジペルオキソール
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： C7H7[N+]O5[O-]
Molecular formula furigana： C7-H7-N-O6
Molecular weight： 201.134
InChI：
InChI=1S/C7H7NO6/c9-8(10)6-3-1-5(2-4-6)7(13-11)14-12/h1-4,7,11-12H
InChI key：
PTKWJNHWPBGECZ-UHFFFAOYSA-N
SMILES：
OOC(OO)c1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- α,α-ジヒドロペルオキシ-4-ニトロトルエン
- (4-ニトロフェニル)メタンジペルオキソール
- (4-nitrophenyl)methanediperoxol
- α,α-Dihydroperoxy-4-nitrotoluene
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