2-oxidanyl-3-(phenylmethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)pyran-4-one

Systemtic Name: 2-oxidanyl-3-(phenylmethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-(2,3,4-trimethoxyphenyl)pyran-4-one CAS Name: 2-hydroxy-3-(phenylmethylthio)-6-(2,3,4-trimethoxyphenyl)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-(2,3,4-trimethoxyphenyl)pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-(2,3,4-trimethoxyphenyl)pyran-4-one Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H20O6S/c1-24-16-10-9-14(18(25-2)19(16)26-3)17-11-15(22)20(21(23)27-17)28-12-13-7-5-4-6-8-13/h4-11,23H,12H2,1-3H3