1-butyl-3,5-dimethyl-2,4,6-trinitro-benzene

Systemtic Name: 1-butyl-3,5-dimethyl-2,4,6-trinitro-benzene Openeye Name: 1-butyl-3,5-dimethyl-2,4,6-trinitro-benzene CAS Name: 1-butyl-3,5-dimethyl-2,4,6-trinitrobenzene IUPAC Name: 1-butyl-3,5-dimethyl-2,4,6-trinitrobenzene Traditional Name: 1-butyl-3,5-dimethyl-2,4,6-trinitro-benzene Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-4-5-6-9-11(14(18)19)7(2)10(13(16)17)8(3)12(9)15(20)21/h4-6H2,1-3H3