benzene; 1,1,2-trinitroethylbenzene

Systemtic Name: benzene; 1,1,2-trinitroethylbenzene Openeye Name: benzene; 1,1,2-trinitroethylbenzene CAS Name: benzene; 1,1,2-trinitroethylbenzene IUPAC Name: benzene; 1,1,2-trinitroethylbenzene Traditional Name: benzene; 1,1,2-trinitroethylbenzene Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O6.C6H6/c12-9(13)6-8(10(14)15,11(16)17)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H,6H2;1-6H