1-[4-(2-oxidanylpropyl)piperazin-1-yl]propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-[4-(2-oxidanylpropyl)piperazin-1-yl]propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-2-ol; picric acid CAS Name: 1-[4-(2-hydroxypropyl)-1-piperazinyl]-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-[4-(2-hydroxypropyl)piperazino]propan-2-ol; picric acid Formula: C16H25N5O9 MolecularWeight: 431.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC(C)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CN1CCN(CC1)CC(C)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H22N2O2.C6H3N3O7/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10,13-14H,3-8H2,1-2H3;1-2,10H