8-propyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol

Systemtic Name: 8-propyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol Openeye Name: picric acid; 8-propyl-8-azabicyclo[3.2.1]octan-3-ol CAS Name: 8-propyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol IUPAC Name: 8-propyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol Traditional Name: picric acid; 8-propyl-8-azabicyclo[3.2.1]octan-3-ol Formula: C16H22N4O8 MolecularWeight: 398.36788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2CCC1CC(C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN1C2CCC1CC(C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H19NO.C6H3N3O7/c1-2-5-11-8-3-4-9(11)7-10(12)6-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-10,12H,2-7H2,1H3;1-2,10H