3-(2,4,6-trinitrophenyl)sulfanylpropane-1-thiol

Systemtic Name: 3-(2,4,6-trinitrophenyl)sulfanylpropane-1-thiol Openeye Name: 3-(2,4,6-trinitrophenyl)sulfanylpropane-1-thiol CAS Name: 3-[(2,4,6-trinitrophenyl)thio]-1-propanethiol IUPAC Name: 3-(2,4,6-trinitrophenyl)sulfanylpropane-1-thiol Traditional Name: 3-(picrylthio)propane-1-thiol Formula: C9H9N3O6S2 MolecularWeight: 319.31426

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SCCCS)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SCCCS)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S2/c13-10(14)6-4-7(11(15)16)9(20-3-1-2-19)8(5-6)12(17)18/h4-5,19H,1-3H2