3-(1-oxidanidylpyridin-1-ium-4-yl)propane-1-thiol; 2,4,6-trinitrophenol

Systemtic Name: 3-(1-oxidanidylpyridin-1-ium-4-yl)propane-1-thiol; 2,4,6-trinitrophenol Openeye Name: 3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol; picric acid CAS Name: 3-(1-oxido-4-pyridin-1-iumyl)-1-propanethiol; 2,4,6-trinitrophenol IUPAC Name: 3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol; 2,4,6-trinitrophenol Traditional Name: 3-(1-oxidopyridin-1-ium-4-yl)propane-1-thiol; picric acid Formula: C14H14N4O8S MolecularWeight: 398.34796

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CCCS)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1CCCS)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H11NOS.C6H3N3O7/c10-9-5-3-8(4-6-9)2-1-7-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,11H,1-2,7H2;1-2,10H