1,3-di(nonyl)imidazolidine; 2,4,6-trinitrophenol

Systemtic Name: 1,3-di(nonyl)imidazolidine; 2,4,6-trinitrophenol Openeye Name: 1,3-di(nonyl)imidazolidine; picric acid CAS Name: 1,3-di(nonyl)imidazolidine; 2,4,6-trinitrophenol IUPAC Name: 1,3-di(nonyl)imidazolidine; 2,4,6-trinitrophenol Traditional Name: 1,3-di(nonyl)imidazolidine; picric acid Formula: C33H50N8O14 MolecularWeight: 782.7953

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1CCN(C1)CCCCCCCCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCN1CCN(C1)CCCCCCCCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H44N2.2C6H3N3O7/c1-3-5-7-9-11-13-15-17-22-19-20-23(21-22)18-16-14-12-10-8-6-4-2;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-21H2,1-2H3;2*1-2,10H