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1-piperazin-1-ylpropan-2-ol; 2,4,6-trinitrophenol

1-piperazin-1-ylpropan-2-ol; 2,4,6-trinitrophenol

Systemtic Name:1-piperazin-1-ylpropan-2-ol; 2,4,6-trinitrophenol
Openeye Name:picric acid; 1-piperazin-1-ylpropan-2-ol
CAS Name:1-(1-piperazinyl)-2-propanol; 2,4,6-trinitrophenol
IUPAC Name:1-piperazin-1-ylpropan-2-ol; 2,4,6-trinitrophenol
Traditional Name:picric acid; 1-piperazinopropan-2-ol
Formula: C13H19N5O8
MolecularWeight: 373.31866
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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCNCC1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CC(CN1CCNCC1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C7H16N2O.C6H3N3O7/c1-7(10)6-9-4-2-8-3-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,10H,2-6H2,1H3;1-2,10H


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