Chem
J-GLOBAL ID：201207022164252409   Nikkaji number：J3.094.392I

2-Propyl-3-hexyl-6-nitro-2H-1,2-benzothiazine 1,1-dioxide

2-プロピル-3-ヘキシル-6-ニトロ-2H-1,2-ベンゾチアジン1,1-ジオキシド
Substance type：
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
Molecular formula： C17H24N[N+]O[O-]3[S+2]
Molecular formula furigana： C17-H24-N2-O4-S
Molecular weight： 352.450
InChI： InChI=1S/C17H24N2O4S/c1-3-5-6-7-8-15-12-14-13-16(19(20)21)9-10-17(14)24(22,23)18(15)11-4-2/h9-10,12-13H,3-8,11H2,1-2H3
InChI key： MXCHBKIUIWGOEC-UHFFFAOYSA-N
SMILES： CCCCCCC1=Cc2cc(ccc2[S+2]([O-])([O-])N1CCC)[N+](=O)[O-]
Systematic name  (3)：
  • 2-プロピル-3-ヘキシル-6-ニトロ-2H-1,2-ベンゾチアジン1,1-ジオキシド
  • 3-ヘキシル-6-ニトロ-2-プロピル-1,2-ジヒドロ-1,2-ベンゾチアジン-1,1-ジイウム-1,1-ビス(オラート)
  • 3-hexyl-6-nitro-2-propyl-1,2-dihydro-1,2-benzothiazine-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 2-Propyl-3-hexyl-6-nitro-2H-1,2-benzothiazine 1,1-dioxide
Thsaurus map：
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