1,2-dinitrobenzene; 1,3-dinitrobenzene; 1,4-dinitrobenzene

Systemtic Name: 1,2-dinitrobenzene; 1,3-dinitrobenzene; 1,4-dinitrobenzene Openeye Name: 1,2-dinitrobenzene; 1,3-dinitrobenzene; 1,4-dinitrobenzene CAS Name: 1,2-dinitrobenzene; 1,3-dinitrobenzene; 1,4-dinitrobenzene IUPAC Name: 1,2-dinitrobenzene; 1,3-dinitrobenzene; 1,4-dinitrobenzene Traditional Name: 1,2-dinitrobenzene; 1,3-dinitrobenzene; 1,4-dinitrobenzene Formula: C18H12N6O12 MolecularWeight: 504.32088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;9-7(10)5-3-1-2-4-6(5)8(11)12/h3*1-4H