methyl 4-methoxy-2-oxidanyl-5-thiocyanato-benzoate

Systemtic Name: methyl 4-methoxy-2-oxidanyl-5-thiocyanato-benzoate Openeye Name: methyl 2-hydroxy-4-methoxy-5-thiocyanato-benzoate CAS Name: 2-hydroxy-4-methoxy-5-thiocyanatobenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-methoxy-5-thiocyanatobenzoate Traditional Name: 2-hydroxy-4-methoxy-5-thiocyanato-benzoic acid methyl ester Formula: C10H9NO4S MolecularWeight: 239.24776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)OC)SC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)OC)SC#N

InChI

InChI=1S/C10H9NO4S/c1-14-8-4-7(12)6(10(13)15-2)3-9(8)16-5-11/h3-4,12H,1-2H3