1-(1,3-diphenylprop-2-ynyl)piperidine; 2,4,6-trinitrophenol

Systemtic Name: 1-(1,3-diphenylprop-2-ynyl)piperidine; 2,4,6-trinitrophenol Openeye Name: 1-(1,3-diphenylprop-2-ynyl)piperidine; picric acid CAS Name: 1-(1,3-diphenylprop-2-ynyl)piperidine; 2,4,6-trinitrophenol IUPAC Name: 1-(1,3-diphenylprop-2-ynyl)piperidine; 2,4,6-trinitrophenol Traditional Name: 1-(1,3-diphenylprop-2-ynyl)piperidine; picric acid Formula: C26H24N4O7 MolecularWeight: 504.49136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(C#CC2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N.C6H3N3O7/c1-4-10-18(11-5-1)14-15-20(19-12-6-2-7-13-19)21-16-8-3-9-17-21;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4-7,10-13,20H,3,8-9,16-17H2;1-2,10H