2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethyl-ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethyl-ethanamine; 2,4,6-trinitrophenol Openeye Name: 2-(3,4-dimethoxy-1-phenanthryl)-N,N-dimethyl-ethanamine; picric acid CAS Name: 2-(3,4-dimethoxy-1-phenanthrenyl)-N,N-dimethylethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine; 2,4,6-trinitrophenol Traditional Name: 2-(3,4-dimethoxy-1-phenanthryl)ethyl-dimethyl-amine; picric acid Formula: C26H26N4O9 MolecularWeight: 538.50604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23NO2.C6H3N3O7/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-10,13H,11-12H2,1-4H3;1-2,10H