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

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[3-(phenylsulfinyl)phenyl]pyran-4-one Openeye Name: 6-[3-(benzenesulfinyl)phenyl]-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 6-[3-(benzenesulfinyl)phenyl]-2-hydroxy-3-(phenethylthio)-4-pyranone IUPAC Name: 6-[3-(benzenesulfinyl)phenyl]-2-hydroxy-3-phenethylsulfanylpyran-4-one Traditional Name: 6-[3-(benzenesulfinyl)phenyl]-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C25H20O4S2 MolecularWeight: 448.5539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O4S2/c26-22-17-23(29-25(27)24(22)30-15-14-18-8-3-1-4-9-18)19-10-7-13-21(16-19)31(28)20-11-5-2-6-12-20/h1-13,16-17,27H,14-15H2