1-phenyl-2-pyridin-2-ylsulfanyl-ethanone; 2,4,6-trinitrophenol

Systemtic Name: 1-phenyl-2-pyridin-2-ylsulfanyl-ethanone; 2,4,6-trinitrophenol Openeye Name: 1-phenyl-2-(2-pyridylsulfanyl)ethanone; picric acid CAS Name: 1-phenyl-2-(2-pyridinylthio)ethanone; 2,4,6-trinitrophenol IUPAC Name: 1-phenyl-2-pyridin-2-ylsulfanylethanone; 2,4,6-trinitrophenol Traditional Name: 1-phenyl-2-(2-pyridylthio)ethanone; picric acid Formula: C19H14N4O8S MolecularWeight: 458.40146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=CC=CC=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=CC=CC=N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11NOS.C6H3N3O7/c15-12(11-6-2-1-3-7-11)10-16-13-8-4-5-9-14-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,10H2;1-2,10H