2,4-dinitro-1-(1-nitropropylsulfanyl)benzene

Systemtic Name: 2,4-dinitro-1-(1-nitropropylsulfanyl)benzene Openeye Name: 2,4-dinitro-1-(1-nitropropylsulfanyl)benzene CAS Name: 2,4-dinitro-1-(1-nitropropylthio)benzene IUPAC Name: 2,4-dinitro-1-(1-nitropropylsulfanyl)benzene Traditional Name: 2,4-dinitro-1-(1-nitropropylthio)benzene Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+](=O)[O-])SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC([N+](=O)[O-])SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S/c1-2-9(12(17)18)19-8-4-3-6(10(13)14)5-7(8)11(15)16/h3-5,9H,2H2,1H3