2-(chloromethyl)-1,3,5-trinitro-benzene

Systemtic Name: 2-(chloromethyl)-1,3,5-trinitro-benzene Openeye Name: 2-(chloromethyl)-1,3,5-trinitro-benzene CAS Name: 2-(chloromethyl)-1,3,5-trinitrobenzene IUPAC Name: 2-(chloromethyl)-1,3,5-trinitrobenzene Traditional Name: 2-(chloromethyl)-1,3,5-trinitro-benzene Formula: C7H4ClN3O6 MolecularWeight: 261.57616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4ClN3O6/c8-3-5-6(10(14)15)1-4(9(12)13)2-7(5)11(16)17/h1-2H,3H2