3-methyl-2-(4-methylsulfanylphenyl)-6-oxidanyl-5-phenylmethoxy-pyran-4-one

Systemtic Name: 3-methyl-2-(4-methylsulfanylphenyl)-6-oxidanyl-5-phenylmethoxy-pyran-4-one Openeye Name: 3-benzyloxy-2-hydroxy-5-methyl-6-(4-methylsulfanylphenyl)pyran-4-one CAS Name: 2-hydroxy-5-methyl-6-[4-(methylthio)phenyl]-3-phenylmethoxy-4-pyranone IUPAC Name: 2-hydroxy-5-methyl-6-(4-methylsulfanylphenyl)-3-phenylmethoxypyran-4-one Traditional Name: 3-benzoxy-2-hydroxy-5-methyl-6-[4-(methylthio)phenyl]pyran-4-one Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)OCC2=CC=CC=C2)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(OC(=C(C1=O)OCC2=CC=CC=C2)O)C3=CC=C(C=C3)SC

InChI

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