5-[(2,5-dimethylphenyl)methylsulfanyl]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)methylthio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(2,5-dimethylbenzyl)thio]-6-hydroxy-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C28H28O3S MolecularWeight: 444.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H28O3S/c1-20-13-14-21(2)23(17-20)19-32-26-25(29)18-28(31-27(26)30,24-11-7-4-8-12-24)16-15-22-9-5-3-6-10-22/h3-14,17,30H,15-16,18-19H2,1-2H3