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

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[4-(2-phenylethynyl)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(2-phenylethynyl)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-[4-(2-phenylethynyl)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(2-phenylethynyl)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-[4-(2-phenylethynyl)phenyl]pyran-4-one Formula: C27H20O3S MolecularWeight: 424.5109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4)O

InChI

InChI=1S/C27H20O3S/c28-24-19-25(30-27(29)26(24)31-18-17-21-9-5-2-6-10-21)23-15-13-22(14-16-23)12-11-20-7-3-1-4-8-20/h1-10,13-16,19,29H,17-18H2