1,2-dinitro-3-(phenylsulfonylsulfanyl)benzene

Systemtic Name: 1,2-dinitro-3-(phenylsulfonylsulfanyl)benzene Openeye Name: 1-(benzenesulfonylsulfanyl)-2,3-dinitro-benzene CAS Name: 1-(benzenesulfonylthio)-2,3-dinitrobenzene IUPAC Name: 1-(benzenesulfonylsulfanyl)-2,3-dinitrobenzene Traditional Name: 1-(besylthio)-2,3-dinitro-benzene Formula: C12H8N2O6S2 MolecularWeight: 340.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)SC2=CC=CC(=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)SC2=CC=CC(=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O6S2/c15-13(16)10-7-4-8-11(12(10)14(17)18)21-22(19,20)9-5-2-1-3-6-9/h1-8H