3-pyridin-3-ylpropane-1-thiol; 2,4,6-trinitrophenol

Systemtic Name: 3-pyridin-3-ylpropane-1-thiol; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-(3-pyridyl)propane-1-thiol CAS Name: 3-(3-pyridinyl)-1-propanethiol; 2,4,6-trinitrophenol IUPAC Name: 3-pyridin-3-ylpropane-1-thiol; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(3-pyridyl)propane-1-thiol Formula: C14H14N4O7S MolecularWeight: 382.34856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NS.C6H3N3O7/c10-6-2-4-8-3-1-5-9-7-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3,5,7,10H,2,4,6H2;1-2,10H