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

Systemtic Name: 1,3,5-trinitro-2-(phenylmethyl)benzene Openeye Name: 2-benzyl-1,3,5-trinitro-benzene CAS Name: 1,3,5-trinitro-2-(phenylmethyl)benzene IUPAC Name: 2-benzyl-1,3,5-trinitrobenzene Traditional Name: 2-benzyl-1,3,5-trinitro-benzene Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6/c17-14(18)10-7-12(15(19)20)11(13(8-10)16(21)22)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2