(4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene

Systemtic Name: (4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene Openeye Name: (4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene CAS Name: (4-phenyl-1-cyclopenta-1,3-dienyl)benzene; 1,3,5-trinitrobenzene IUPAC Name: (4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene Traditional Name: (4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C1C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(=CC=C1C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14.C6H3N3O6/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-12H,13H2;1-3H