N,N-dimethyl-2-phenyl-hexan-2-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dimethyl-2-phenyl-hexan-2-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dimethyl-2-phenyl-hexan-2-amine; picric acid CAS Name: N,N-dimethyl-2-phenyl-2-hexanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dimethyl-2-phenylhexan-2-amine; 2,4,6-trinitrophenol Traditional Name: dimethyl-(1-methyl-1-phenyl-pentyl)amine; picric acid Formula: C20H26N4O7 MolecularWeight: 434.44304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N.C6H3N3O7/c1-5-6-12-14(2,15(3)4)13-10-8-7-9-11-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-11H,5-6,12H2,1-4H3;1-2,10H