2-oxidanyl-6-phenethyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 2-oxidanyl-6-phenethyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-phenethyl-pyran-4-one CAS Name: 2-hydroxy-6-phenethyl-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-phenethylpyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-phenethyl-pyran-4-one Formula: C20H18O3S MolecularWeight: 338.42012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18O3S/c21-18-13-17(12-11-15-7-3-1-4-8-15)23-20(22)19(18)24-14-16-9-5-2-6-10-16/h1-10,13,22H,11-12,14H2