4-methylsulfonyl-1,2-dinitro-benzene

Systemtic Name: 4-methylsulfonyl-1,2-dinitro-benzene Openeye Name: 4-methylsulfonyl-1,2-dinitro-benzene CAS Name: 4-methylsulfonyl-1,2-dinitrobenzene IUPAC Name: 4-methylsulfonyl-1,2-dinitrobenzene Traditional Name: 4-mesyl-1,2-dinitro-benzene Formula: C7H6N2O6S MolecularWeight: 246.19734

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3