2-(3,5-dimethylphenyl)-3-methyl-6-oxidanyl-5-[2-phenyl-1-(phenylmethylsulfanyl)ethyl]pyran-4-one

Systemtic Name: 2-(3,5-dimethylphenyl)-3-methyl-6-oxidanyl-5-[2-phenyl-1-(phenylmethylsulfanyl)ethyl]pyran-4-one Openeye Name: 5-(1-benzylsulfanyl-2-phenyl-ethyl)-2-(3,5-dimethylphenyl)-6-hydroxy-3-methyl-pyran-4-one CAS Name: 2-(3,5-dimethylphenyl)-6-hydroxy-3-methyl-5-[2-phenyl-1-(phenylmethylthio)ethyl]-4-pyranone IUPAC Name: 5-(1-benzylsulfanyl-2-phenylethyl)-2-(3,5-dimethylphenyl)-6-hydroxy-3-methylpyran-4-one Traditional Name: 5-[1-(benzylthio)-2-phenyl-ethyl]-2-(3,5-dimethylphenyl)-6-hydroxy-3-methyl-pyran-4-one Formula: C29H28O3S MolecularWeight: 456.59582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C(=O)C(=C(O2)O)C(CC3=CC=CC=C3)SCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C(=O)C(=C(O2)O)C(CC3=CC=CC=C3)SCC4=CC=CC=C4)C)C

InChI

InChI=1S/C29H28O3S/c1-19-14-20(2)16-24(15-19)28-21(3)27(30)26(29(31)32-28)25(17-22-10-6-4-7-11-22)33-18-23-12-8-5-9-13-23/h4-16,25,31H,17-18H2,1-3H3