1-(1,1-dinitropropylsulfanyl)-2-nitro-benzene

Systemtic Name: 1-(1,1-dinitropropylsulfanyl)-2-nitro-benzene Openeye Name: 1-(1,1-dinitropropylsulfanyl)-2-nitro-benzene CAS Name: 1-(1,1-dinitropropylthio)-2-nitrobenzene IUPAC Name: 1-(1,1-dinitropropylsulfanyl)-2-nitrobenzene Traditional Name: 1-(1,1-dinitropropylthio)-2-nitro-benzene Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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