2-[4-(hydroxymethyl)phenyl]-6-oxidanyl-5-phenethylsulfanyl-2,3-dihydropyran-4-one

Systemtic Name: 2-[4-(hydroxymethyl)phenyl]-6-oxidanyl-5-phenethylsulfanyl-2,3-dihydropyran-4-one Openeye Name: 6-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-phenethylsulfanyl-2,3-dihydropyran-4-one CAS Name: 6-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-(phenethylthio)-2,3-dihydropyran-4-one IUPAC Name: 6-hydroxy-2-[4-(hydroxymethyl)phenyl]-5-phenethylsulfanyl-2,3-dihydropyran-4-one Traditional Name: 6-hydroxy-2-(4-methylolphenyl)-5-(phenethylthio)-2,3-dihydropyran-4-one Formula: C20H20O4S MolecularWeight: 356.4354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCCC2=CC=CC=C2)O)C3=CC=C(C=C3)CO

Isomeric SMILES

C1C(OC(=C(C1=O)SCCC2=CC=CC=C2)O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C20H20O4S/c21-13-15-6-8-16(9-7-15)18-12-17(22)19(20(23)24-18)25-11-10-14-4-2-1-3-5-14/h1-9,18,21,23H,10-13H2