2-[(4-methylsulfanylphenyl)-oxidanyl-methyl]-3-phenylmethoxy-pyran-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(C(=O)C=CO2)OCC3=CC=CC=C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=C(C(=O)C=CO2)OCC3=CC=CC=C3)O

InChI

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