4-(4-methylphenyl)sulfonyl-2,6-dinitro-aniline

Systemtic Name: 4-(4-methylphenyl)sulfonyl-2,6-dinitro-aniline Openeye Name: 2,6-dinitro-4-(p-tolylsulfonyl)aniline CAS Name: 4-(4-methylphenyl)sulfonyl-2,6-dinitroaniline IUPAC Name: 4-(4-methylphenyl)sulfonyl-2,6-dinitroaniline Traditional Name: (2,6-dinitro-4-tosyl-phenyl)amine Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O6S/c1-8-2-4-9(5-3-8)23(21,22)10-6-11(15(17)18)13(14)12(7-10)16(19)20/h2-7H,14H2,1H3