(2,3,4-trinitro-5,6-dithiocyanato-phenyl) thiocyanate

Systemtic Name: (2,3,4-trinitro-5,6-dithiocyanato-phenyl) thiocyanate Openeye Name: (2,3,4-trinitro-5,6-dithiocyanato-phenyl) thiocyanate CAS Name: thiocyanic acid (2,3,4-trinitro-5,6-dithiocyanatophenyl) ester IUPAC Name: (2,3,4-trinitro-5,6-dithiocyanatophenyl) thiocyanate Traditional Name: thiocyanic acid (2,3,4-trinitro-5,6-dithiocyanato-phenyl) ester Formula: C9N6O6S3 MolecularWeight: 384.3279

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)SC1=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SC#N)SC#N

Isomeric SMILES

C(#N)SC1=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])SC#N)SC#N

InChI

InChI=1S/C9N6O6S3/c10-1-22-7-5(14(18)19)4(13(16)17)6(15(20)21)8(23-2-11)9(7)24-3-12