O-ethyl (2,4,6-trinitrophenyl)sulfanylmethanethioate

Systemtic Name: O-ethyl (2,4,6-trinitrophenyl)sulfanylmethanethioate Openeye Name: O-ethyl (2,4,6-trinitrophenyl)sulfanylmethanethioate CAS Name: [(2,4,6-trinitrophenyl)thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl (2,4,6-trinitrophenyl)sulfanylmethanethioate Traditional Name: (picrylthio)methanethioic acid O-ethyl ester Formula: C9H7N3O7S2 MolecularWeight: 333.29778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)SC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O7S2/c1-2-19-9(20)21-8-6(11(15)16)3-5(10(13)14)4-7(8)12(17)18/h3-4H,2H2,1H3