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

Systemtic Name: 2-oxidanyl-6-(4-phenethylphenyl)-3-phenethylsulfanyl-pyran-4-one Openeye Name: 2-hydroxy-6-(4-phenethylphenyl)-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-(4-phenethylphenyl)-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-(4-phenethylphenyl)-3-phenethylsulfanylpyran-4-one Traditional Name: 2-hydroxy-6-(4-phenethylphenyl)-3-(phenethylthio)pyran-4-one Formula: C27H24O3S MolecularWeight: 428.54266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=CC(=O)C(=C(O3)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C27H24O3S/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,11-12,17-18H2