1-[(1E)-1-butylsulfanyl-3,4,4-tris(chloranyl)-2-nitro-buta-1,3-dienyl]piperidine

Systemtic Name: 1-[(1E)-1-butylsulfanyl-3,4,4-tris(chloranyl)-2-nitro-buta-1,3-dienyl]piperidine Openeye Name: 1-[(1E)-1-butylsulfanyl-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]piperidine CAS Name: 1-[(1E)-1-(butylthio)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine IUPAC Name: 1-[(1E)-1-butylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]piperidine Traditional Name: 1-[(1E)-1-(butylthio)-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]piperidine Formula: C13H19Cl3N2O2S MolecularWeight: 373.72616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1CCCCC1

Isomeric SMILES

CCCCS/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/N1CCCCC1

InChI

InChI=1S/C13H19Cl3N2O2S/c1-2-3-9-21-13(17-7-5-4-6-8-17)11(18(19)20)10(14)12(15)16/h2-9H2,1H3/b13-11+