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

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-2-(3-methylbutyl)-6-oxidanyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-hydroxy-2-isopentyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)methylthio]-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(2,5-dimethylbenzyl)thio]-6-hydroxy-2-isoamyl-2-phenyl-3H-pyran-4-one Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O3S/c1-17(2)12-13-25(21-8-6-5-7-9-21)15-22(26)23(24(27)28-25)29-16-20-14-18(3)10-11-19(20)4/h5-11,14,17,27H,12-13,15-16H2,1-4H3