[2-methoxy-5-(4-methoxy-2-oxidanyl-5-thiocyanato-phenyl)carbonyl-4-oxidanyl-phenyl] thiocyanate

Systemtic Name: [2-methoxy-5-(4-methoxy-2-oxidanyl-5-thiocyanato-phenyl)carbonyl-4-oxidanyl-phenyl] thiocyanate Openeye Name: [4-hydroxy-5-(2-hydroxy-4-methoxy-5-thiocyanato-benzoyl)-2-methoxy-phenyl] thiocyanate CAS Name: thiocyanic acid [4-hydroxy-5-[(2-hydroxy-4-methoxy-5-thiocyanatophenyl)-oxomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-hydroxy-5-(2-hydroxy-4-methoxy-5-thiocyanatobenzoyl)-2-methoxyphenyl] thiocyanate Traditional Name: thiocyanic acid [4-hydroxy-5-(2-hydroxy-4-methoxy-5-thiocyanato-benzoyl)-2-methoxy-phenyl] ester Formula: C17H12N2O5S2 MolecularWeight: 388.41758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=CC(=C(C=C2O)OC)SC#N)SC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC(=C(C=C2O)OC)SC#N)SC#N

InChI

InChI=1S/C17H12N2O5S2/c1-23-13-5-11(20)9(3-15(13)25-7-18)17(22)10-4-16(26-8-19)14(24-2)6-12(10)21/h3-6,20-21H,1-2H3