Chem
J-GLOBAL ID:200907026200374915   Nikkaji number:J2.399.120I

1-[3,4,4-Trichloro-1-(hexadecylthio)-2-nitro-1,3-butadienyl]hexahydro-1H-1,4-diazepine

1-[3,4,4-トリクロロ-1-(ヘキサデシルスルファニル)-2-ニトロブタ-1,3-ジエン-1-イル]-1,4-ジアゼパン
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: C25H44Cl3N2[N+]O[O-]S
Molecular formula furigana: C25-H44-CL3-N3-O2-S
Molecular weight: 557.060
InChI: InChI=1S/C25H44Cl3N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-25(30-19-16-17-29-18-20-30)23(31(32)33)22(26)24(27)28/h29H,2-21H2,1H3
InChI key: MLEULRZBDHBDAD-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1CCCNCC1
Systematic name  (3):
  • 1-[3,4,4-トリクロロ-1-(ヘキサデシルチオ)-2-ニトロ-1,3-ブタジエニル]ヘキサヒドロ-1H-1,4-ジアゼピン
  • 1-[3,4,4-トリクロロ-1-(ヘキサデシルスルファニル)-2-ニトロブタ-1,3-ジエン-1-イル]-1,4-ジアゼパン
  • 1-[3,4,4-trichloro-1-(hexadecylsulfanyl)-2-nitrobuta-1,3-dien-1-yl]-1,4-diazepane
Other name (1):
  • 1-[3,4,4-Trichloro-1-(hexadecylthio)-2-nitro-1,3-butadienyl]hexahydro-1H-1,4-diazepine
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