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

Systemtic Name: 1-methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene Openeye Name: 1-methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene CAS Name: 1-methyl-4-(4-phenyl-1-cyclopenta-1,3-dienyl)benzene; 1,3,5-trinitrobenzene IUPAC Name: 1-methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene Traditional Name: 1-methyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)benzene; 1,3,5-trinitrobenzene Formula: C24H19N3O6 MolecularWeight: 445.42416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C2)C3=CC=CC=C3.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C2)C3=CC=CC=C3.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16.C6H3N3O6/c1-14-7-9-16(10-8-14)18-12-11-17(13-18)15-5-3-2-4-6-15;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-12H,13H2,1H3;1-3H