1-[cyclohexyl(methyl)amino]propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-[cyclohexyl(methyl)amino]propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-[cyclohexyl(methyl)amino]propan-2-ol; picric acid CAS Name: 1-[cyclohexyl(methyl)amino]-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-[cyclohexyl(methyl)amino]propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-[cyclohexyl(methyl)amino]propan-2-ol; picric acid Formula: C16H24N4O8 MolecularWeight: 400.38376

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C1CCCCC1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CN(C)C1CCCCC1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H21NO.C6H3N3O7/c1-9(12)8-11(2)10-6-4-3-5-7-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10,12H,3-8H2,1-2H3;1-2,10H