1,1,2-trinitroethylbenzene

Systemtic Name: 1,1,2-trinitroethylbenzene Openeye Name: 1,1,2-trinitroethylbenzene CAS Name: 1,1,2-trinitroethylbenzene IUPAC Name: 1,1,2-trinitroethylbenzene Traditional Name: 1,1,2-trinitroethylbenzene Formula: C8H7N3O6 MolecularWeight: 241.15768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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