2-chloranyl-5-methylsulfonyl-1,3-dinitro-benzene

Systemtic Name: 2-chloranyl-5-methylsulfonyl-1,3-dinitro-benzene Openeye Name: 2-chloro-5-methylsulfonyl-1,3-dinitro-benzene CAS Name: 2-chloro-5-methylsulfonyl-1,3-dinitrobenzene IUPAC Name: 2-chloro-5-methylsulfonyl-1,3-dinitrobenzene Traditional Name: 2-chloro-5-mesyl-1,3-dinitro-benzene Formula: C7H5ClN2O6S MolecularWeight: 280.6424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5ClN2O6S/c1-17(15,16)4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3