2-(2,3-dihydro-1-benzofuran-2-yl)-1-piperidin-1-yl-butan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-2-yl)-1-piperidin-1-yl-butan-2-ol; 2,4,6-trinitrophenol Openeye Name: 2-(2,3-dihydrobenzofuran-2-yl)-1-(1-piperidyl)butan-2-ol; picric acid CAS Name: 2-(2,3-dihydrobenzofuran-2-yl)-1-(1-piperidinyl)-2-butanol; 2,4,6-trinitrophenol IUPAC Name: 2-(2,3-dihydro-1-benzofuran-2-yl)-1-piperidin-1-ylbutan-2-ol; 2,4,6-trinitrophenol Traditional Name: 2-coumaran-2-yl-1-piperidino-butan-2-ol; picric acid Formula: C23H28N4O9 MolecularWeight: 504.48982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCCCC1)(C2CC3=CC=CC=C3O2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CN1CCCCC1)(C2CC3=CC=CC=C3O2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H25NO2.C6H3N3O7/c1-2-17(19,13-18-10-6-3-7-11-18)16-12-14-8-4-5-9-15(14)20-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8-9,16,19H,2-3,6-7,10-13H2,1H3;1-2,10H