6-(3,5-dimethyl-4-oxidanyl-phenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-(3,5-dimethyl-4-oxidanyl-phenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-(4-hydroxy-3,5-dimethyl-phenyl)pyran-4-one CAS Name: 2-hydroxy-6-(4-hydroxy-3,5-dimethylphenyl)-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-(4-hydroxy-3,5-dimethylphenyl)pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-(4-hydroxy-3,5-dimethyl-phenyl)pyran-4-one Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18O4S/c1-12-8-15(9-13(2)18(12)22)17-10-16(21)19(20(23)24-17)25-11-14-6-4-3-5-7-14/h3-10,22-23H,11H2,1-2H3