2-tert-butyl-4-methyl-1,3,5-trinitro-benzene

Systemtic Name: 2-tert-butyl-4-methyl-1,3,5-trinitro-benzene Openeye Name: 2-tert-butyl-4-methyl-1,3,5-trinitro-benzene CAS Name: 2-tert-butyl-4-methyl-1,3,5-trinitrobenzene IUPAC Name: 2-tert-butyl-4-methyl-1,3,5-trinitrobenzene Traditional Name: 2-tert-butyl-4-methyl-1,3,5-trinitro-benzene Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6/c1-6-7(12(15)16)5-8(13(17)18)9(11(2,3)4)10(6)14(19)20/h5H,1-4H3