(2,4-dinitrophenyl)methyl thiocyanate

Systemtic Name: (2,4-dinitrophenyl)methyl thiocyanate Openeye Name: (2,4-dinitrophenyl)methyl thiocyanate CAS Name: thiocyanic acid (2,4-dinitrophenyl)methyl ester IUPAC Name: (2,4-dinitrophenyl)methyl thiocyanate Traditional Name: thiocyanic acid (2,4-dinitrobenzyl) ester Formula: C8H5N3O4S MolecularWeight: 239.208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5N3O4S/c9-5-16-4-6-1-2-7(10(12)13)3-8(6)11(14)15/h1-3H,4H2