1,3-dipropylimidazolidine; 2,4,6-trinitrophenol

Systemtic Name: 1,3-dipropylimidazolidine; 2,4,6-trinitrophenol Openeye Name: 1,3-dipropylimidazolidine; picric acid CAS Name: 1,3-dipropylimidazolidine; 2,4,6-trinitrophenol IUPAC Name: 1,3-dipropylimidazolidine; 2,4,6-trinitrophenol Traditional Name: 1,3-dipropylimidazolidine; picric acid Formula: C21H26N8O14 MolecularWeight: 614.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(C1)CCC.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

CCCN1CCN(C1)CCC.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/C9H20N2.2C6H3N3O7/c1-3-5-10-7-8-11(9-10)6-4-2;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-9H2,1-2H3;2*1-2,10H