3-pyridin-4-ylpropan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 3-pyridin-4-ylpropan-1-ol; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-(4-pyridyl)propan-1-ol CAS Name: 3-pyridin-4-yl-1-propanol; 2,4,6-trinitrophenol IUPAC Name: 3-pyridin-4-ylpropan-1-ol; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(4-pyridyl)propan-1-ol Formula: C14H14N4O8 MolecularWeight: 366.28296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H11NO.C6H3N3O7/c10-7-1-2-8-3-5-9-6-4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,10H,1-2,7H2;1-2,10H