2-(4-methylphenyl)sulfonyl-1,4-dinitro-benzene

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1,4-dinitro-benzene Openeye Name: 1,4-dinitro-2-(p-tolylsulfonyl)benzene CAS Name: 2-(4-methylphenyl)sulfonyl-1,4-dinitrobenzene IUPAC Name: 2-(4-methylphenyl)sulfonyl-1,4-dinitrobenzene Traditional Name: 1,4-dinitro-2-tosyl-benzene Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S/c1-9-2-5-11(6-3-9)22(20,21)13-8-10(14(16)17)4-7-12(13)15(18)19/h2-8H,1H3