2,2-dimethyl-3-phenyl-3-piperidin-1-yl-propanoic acid; 2,4,6-trinitrophenol

Systemtic Name: 2,2-dimethyl-3-phenyl-3-piperidin-1-yl-propanoic acid; 2,4,6-trinitrophenol Openeye Name: 2,2-dimethyl-3-phenyl-3-(1-piperidyl)propanoic acid; picric acid CAS Name: 2,2-dimethyl-3-phenyl-3-(1-piperidinyl)propanoic acid; 2,4,6-trinitrophenol IUPAC Name: 2,2-dimethyl-3-phenyl-3-piperidin-1-ylpropanoic acid; 2,4,6-trinitrophenol Traditional Name: 2,2-dimethyl-3-phenyl-3-piperidino-propionic acid; picric acid Formula: C22H26N4O9 MolecularWeight: 490.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=CC=C1)N2CCCCC2)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C1=CC=CC=C1)N2CCCCC2)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H23NO2.C6H3N3O7/c1-16(2,15(18)19)14(13-9-5-3-6-10-13)17-11-7-4-8-12-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3,(H,18,19);1-2,10H