N1,N1,N6,N6-tetramethylcyclodecane-1,6-diamine oxide; 2,4,6-trinitrophenol

Systemtic Name: N1,N1,N6,N6-tetramethylcyclodecane-1,6-diamine oxide; 2,4,6-trinitrophenol Openeye Name: picric acid; N1,N1,N6,N6-tetramethylcyclodecane-1,6-diamine oxide CAS Name: N1,N1,N6,N6-tetramethylcyclodecane-1,6-diamine oxide; 2,4,6-trinitrophenol IUPAC Name: 1-N,1-N,6-N,6-N-tetramethylcyclodecane-1,6-diamine oxide; 2,4,6-trinitrophenol Traditional Name: picric acid; N,N,N',N'-tetramethylcyclodecane-1,6-diamine oxide Formula: C20H33N5O9 MolecularWeight: 487.50412

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CCCCC(CCCC1)[N+](C)(C)[O-])[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C1CCCCC(CCCC1)[N+](C)(C)[O-])[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H30N2O2.C6H3N3O7/c1-15(2,17)13-9-5-7-11-14(16(3,4)18)12-8-6-10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h13-14H,5-12H2,1-4H3;1-2,10H