1-[(5-methylfuran-2-yl)methyl]piperidine; 2,4,6-trinitrophenol

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]piperidine; 2,4,6-trinitrophenol Openeye Name: 1-[(5-methyl-2-furyl)methyl]piperidine; picric acid CAS Name: 1-[(5-methyl-2-furanyl)methyl]piperidine; 2,4,6-trinitrophenol IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]piperidine; 2,4,6-trinitrophenol Traditional Name: 1-[(5-methyl-2-furyl)methyl]piperidine; picric acid Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H17NO.C6H3N3O7/c1-10-5-6-11(13-10)9-12-7-3-2-4-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6H,2-4,7-9H2,1H3;1-2,10H