6-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 2-hydroxy-6-(4-hydroxy-3-methyl-phenyl)-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-(4-hydroxy-3-methylphenyl)-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-(4-hydroxy-3-methylphenyl)-3-phenethylsulfanylpyran-4-one Traditional Name: 2-hydroxy-6-(4-hydroxy-3-methyl-phenyl)-3-(phenethylthio)pyran-4-one Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)O

InChI

InChI=1S/C20H18O4S/c1-13-11-15(7-8-16(13)21)18-12-17(22)19(20(23)24-18)25-10-9-14-5-3-2-4-6-14/h2-8,11-12,21,23H,9-10H2,1H3