(3-nitro-4-oxidanyl-phenyl)methyl thiocyanate

Systemtic Name: (3-nitro-4-oxidanyl-phenyl)methyl thiocyanate Openeye Name: (4-hydroxy-3-nitro-phenyl)methyl thiocyanate CAS Name: thiocyanic acid (4-hydroxy-3-nitrophenyl)methyl ester IUPAC Name: (4-hydroxy-3-nitrophenyl)methyl thiocyanate Traditional Name: thiocyanic acid (4-hydroxy-3-nitro-benzyl) ester Formula: C8H6N2O3S MolecularWeight: 210.20984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC#N)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CSC#N)[N+](=O)[O-])O

InChI

InChI=1S/C8H6N2O3S/c9-5-14-4-6-1-2-8(11)7(3-6)10(12)13/h1-3,11H,4H2