2-oxidanyl-3-phenethylsulfanyl-6-(4-phenoxyphenyl)pyran-4-one

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-(4-phenoxyphenyl)pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-(4-phenoxyphenyl)pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-(4-phenoxyphenyl)-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-(4-phenoxyphenyl)pyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-(4-phenoxyphenyl)pyran-4-one Formula: C25H20O4S MolecularWeight: 416.4889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C25H20O4S/c26-22-17-23(19-11-13-21(14-12-19)28-20-9-5-2-6-10-20)29-25(27)24(22)30-16-15-18-7-3-1-4-8-18/h1-14,17,27H,15-16H2