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

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-[4-(3-phenylpropoxy)phenyl]pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(3-phenylpropoxy)phenyl]pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-[4-(3-phenylpropoxy)phenyl]-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-[4-(3-phenylpropoxy)phenyl]pyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-[4-(3-phenylpropoxy)phenyl]pyran-4-one Formula: C28H26O4S MolecularWeight: 458.56864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C28H26O4S/c29-25-20-26(32-28(30)27(25)33-19-17-22-10-5-2-6-11-22)23-13-15-24(16-14-23)31-18-7-12-21-8-3-1-4-9-21/h1-6,8-11,13-16,20,30H,7,12,17-19H2