(4-methyl-3,5-dinitro-phenyl) thiocyanate

Systemtic Name: (4-methyl-3,5-dinitro-phenyl) thiocyanate Openeye Name: (4-methyl-3,5-dinitro-phenyl) thiocyanate CAS Name: thiocyanic acid (4-methyl-3,5-dinitrophenyl) ester IUPAC Name: (4-methyl-3,5-dinitrophenyl) thiocyanate Traditional Name: thiocyanic acid (4-methyl-3,5-dinitro-phenyl) ester Formula: C8H5N3O4S MolecularWeight: 239.208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])SC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])SC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O4S/c1-5-7(10(12)13)2-6(16-4-9)3-8(5)11(14)15/h2-3H,1H3