2-(2,4,6-trinitrophenyl)sulfanylethanethiol

Systemtic Name: 2-(2,4,6-trinitrophenyl)sulfanylethanethiol Openeye Name: 2-(2,4,6-trinitrophenyl)sulfanylethanethiol CAS Name: 2-[(2,4,6-trinitrophenyl)thio]ethanethiol IUPAC Name: 2-(2,4,6-trinitrophenyl)sulfanylethanethiol Traditional Name: 2-(picrylthio)ethanethiol Formula: C8H7N3O6S2 MolecularWeight: 305.28768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N3O6S2/c12-9(13)5-3-6(10(14)15)8(19-2-1-18)7(4-5)11(16)17/h3-4,18H,1-2H2