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

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-2-(3-methylpentyl)-6-oxidanyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-hydroxy-2-(3-methylpentyl)-2-phenyl-3H-pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)methylthio]-6-hydroxy-2-(3-methylpentyl)-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methylsulfanyl]-6-hydroxy-2-(3-methylpentyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(2,5-dimethylbenzyl)thio]-6-hydroxy-2-(3-methylpentyl)-2-phenyl-3H-pyran-4-one Formula: C26H32O3S MolecularWeight: 424.59548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H32O3S/c1-5-18(2)13-14-26(22-9-7-6-8-10-22)16-23(27)24(25(28)29-26)30-17-21-15-19(3)11-12-20(21)4/h6-12,15,18,28H,5,13-14,16-17H2,1-4H3