3,4-dimethylpenta-1,3-diene; 1,3,5-trinitrobenzene

Systemtic Name: 3,4-dimethylpenta-1,3-diene; 1,3,5-trinitrobenzene Openeye Name: 3,4-dimethylpenta-1,3-diene; 1,3,5-trinitrobenzene CAS Name: 3,4-dimethylpenta-1,3-diene; 1,3,5-trinitrobenzene IUPAC Name: 3,4-dimethylpenta-1,3-diene; 1,3,5-trinitrobenzene Traditional Name: 3,4-dimethylpenta-1,3-diene; 1,3,5-trinitrobenzene Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12.C6H3N3O6/c1-5-7(4)6(2)3;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h5H,1H2,2-4H3;1-3H