Chem
J-GLOBAL ID：200907048519088978
Nikkaji number：J1.657.791J
3-(Dimethyliminio)-4,6-dinitro-7-(dimethylamino)-3H-phenothiazine
3-(ジメチルイミニオ)-4,6-ジニトロ-7-(ジメチルアミノ)-3H-フェノチアジン
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： C16H16N2[N+]3O2[O-]2S
Molecular formula furigana： C16-H16-N5-O4-S
Molecular weight： 374.390
InChI：
InChI=1S/C16H16N5O4S/c1-18(2)11-7-5-9-15(13(11)20(22)23)26-16-10(17-9)6-8-12(19(3)4)14(16)21(24)25/h5-8H,1-4H3/q+1
InChI key：
LAHMCERQMWXEAY-UHFFFAOYSA-N
SMILES：
CN(C)c1ccc2nc3ccc(=[N+](C)C)c([N+](=O)[O-])c3sc2c1[N+](=O)[O-]
Systematic name (3)：
- 3-(ジメチルイミニオ)-4,6-ジニトロ-7-(ジメチルアミノ)-3H-フェノチアジン
- 7-(ジメチルアミノ)-N,N-ジメチル-4,6-ジニトロ-3H-フェノチアジン-3-イミニウム
- 7-(dimethylamino)-N,N-dimethyl-4,6-dinitro-3H-phenothiazin-3-iminium
- 3-(Dimethyliminio)-4,6-dinitro-7-(dimethylamino)-3H-phenothiazine
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