2-(4-methylphenyl)-1,3,5-trinitro-benzene

Systemtic Name: 2-(4-methylphenyl)-1,3,5-trinitro-benzene Openeye Name: 1,3,5-trinitro-2-(p-tolyl)benzene CAS Name: 2-(4-methylphenyl)-1,3,5-trinitrobenzene IUPAC Name: 2-(4-methylphenyl)-1,3,5-trinitrobenzene Traditional Name: 1,3,5-trinitro-2-(p-tolyl)benzene Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O6/c1-8-2-4-9(5-3-8)13-11(15(19)20)6-10(14(17)18)7-12(13)16(21)22/h2-7H,1H3