2-methyl-1-piperazin-1-yl-propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-methyl-1-piperazin-1-yl-propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 2-methyl-1-piperazin-1-yl-propan-2-ol; picric acid CAS Name: 2-methyl-1-(1-piperazinyl)-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 2-methyl-1-piperazin-1-ylpropan-2-ol; 2,4,6-trinitrophenol Traditional Name: 2-methyl-1-piperazino-propan-2-ol; picric acid Formula: C14H21N5O8 MolecularWeight: 387.34524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18N2O.C6H3N3O7/c1-8(2,11)7-10-5-3-9-4-6-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9,11H,3-7H2,1-2H3;1-2,10H