2-oxidanyl-3-phenethylsulfanyl-6-[4-(phenylsulfonyl)phenyl]pyran-4-one

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[4-(phenylsulfonyl)phenyl]pyran-4-one Openeye Name: 6-[4-(benzenesulfonyl)phenyl]-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 6-[4-(benzenesulfonyl)phenyl]-2-hydroxy-3-(phenethylthio)-4-pyranone IUPAC Name: 6-[4-(benzenesulfonyl)phenyl]-2-hydroxy-3-phenethylsulfanylpyran-4-one Traditional Name: 6-(4-besylphenyl)-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C25H20O5S2 MolecularWeight: 464.5533

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)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C25H20O5S2/c26-22-17-23(30-25(27)24(22)31-16-15-18-7-3-1-4-8-18)19-11-13-21(14-12-19)32(28,29)20-9-5-2-6-10-20/h1-14,17,27H,15-16H2