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

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl thiocyanate Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl thiocyanate CAS Name: thiocyanic acid (4-hydroxy-3-methoxyphenyl)methyl ester IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl thiocyanate Traditional Name: thiocyanic acid vanillyl ester Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSC#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CSC#N)O

InChI

InChI=1S/C9H9NO2S/c1-12-9-4-7(5-13-6-10)2-3-8(9)11/h2-4,11H,5H2,1H3