(2,4,6-trinitrophenyl) thiocyanate

Systemtic Name: (2,4,6-trinitrophenyl) thiocyanate Openeye Name: (2,4,6-trinitrophenyl) thiocyanate CAS Name: thiocyanic acid (2,4,6-trinitrophenyl) ester IUPAC Name: (2,4,6-trinitrophenyl) thiocyanate Traditional Name: thiocyanic acid picryl ester Formula: C7H2N4O6S MolecularWeight: 270.17898

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SC#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SC#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H2N4O6S/c8-3-18-7-5(10(14)15)1-4(9(12)13)2-6(7)11(16)17/h1-2H