4-tert-butyl-N,N-dimethyl-cyclohexan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: 4-tert-butyl-N,N-dimethyl-cyclohexan-1-amine; 2,4,6-trinitrophenol Openeye Name: 4-tert-butyl-N,N-dimethyl-cyclohexanamine; picric acid CAS Name: 4-tert-butyl-N,N-dimethyl-1-cyclohexanamine; 2,4,6-trinitrophenol IUPAC Name: 4-tert-butyl-N,N-dimethylcyclohexan-1-amine; 2,4,6-trinitrophenol Traditional Name: (4-tert-butylcyclohexyl)-dimethyl-amine; picric acid Formula: C18H28N4O7 MolecularWeight: 412.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H25N.C6H3N3O7/c1-12(2,3)10-6-8-11(9-7-10)13(4)5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-11H,6-9H2,1-5H3;1-2,10H