2-piperazin-1-ylethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-piperazin-1-ylethanol; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-piperazin-1-ylethanol CAS Name: 2-(1-piperazinyl)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-piperazin-1-ylethanol; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-piperazinoethanol Formula: C12H17N5O8 MolecularWeight: 359.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H14N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;9-6-5-8-3-1-7-2-4-8/h1-2,10H;7,9H,1-6H2