N-(dioxidanyl)-2,4,6-tris(iodanyl)-3-(4-methylphenyl)-5-nitro-aniline

Systemtic Name: N-(dioxidanyl)-2,4,6-tris(iodanyl)-3-(4-methylphenyl)-5-nitro-aniline Openeye Name: N-hydroperoxy-2,4,6-triiodo-3-nitro-5-(p-tolyl)aniline CAS Name: N-hydroperoxy-2,4,6-triiodo-3-(4-methylphenyl)-5-nitroaniline IUPAC Name: N-hydroperoxy-2,4,6-triiodo-3-(4-methylphenyl)-5-nitroaniline Traditional Name: hydroperoxy-[2,4,6-triiodo-3-nitro-5-(p-tolyl)phenyl]amine Formula: C13H9I3N2O4 MolecularWeight: 637.93497

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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)NOO)I

Isomeric SMILES

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

InChI

InChI=1S/C13H9I3N2O4/c1-6-2-4-7(5-3-6)8-9(14)12(17-22-21)11(16)13(10(8)15)18(19)20/h2-5,17,21H,1H3