1,3,5-tris(iodanyl)-2-(4-methylphenyl)-4,6-dinitro-benzene

Systemtic Name: 1,3,5-tris(iodanyl)-2-(4-methylphenyl)-4,6-dinitro-benzene Openeye Name: 1,3,5-triiodo-2,4-dinitro-6-(p-tolyl)benzene CAS Name: 1,3,5-triiodo-2-(4-methylphenyl)-4,6-dinitrobenzene IUPAC Name: 1,3,5-triiodo-2-(4-methylphenyl)-4,6-dinitrobenzene Traditional Name: 1,3,5-triiodo-2,4-dinitro-6-(p-tolyl)benzene Formula: C13H7I3N2O4 MolecularWeight: 635.91909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C(=C2I)[N+](=O)[O-])I)[N+](=O)[O-])I

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C(=C2I)[N+](=O)[O-])I)[N+](=O)[O-])I

InChI

InChI=1S/C13H7I3N2O4/c1-6-2-4-7(5-3-6)8-9(14)12(17(19)20)11(16)13(10(8)15)18(21)22/h2-5H,1H3