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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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