5-(2,6-dimethylphenyl)sulfanyl-3-(3-methylbutyl)-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 5-(2,6-dimethylphenyl)sulfanyl-3-(3-methylbutyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 5-(2,6-dimethylphenyl)sulfanyl-2-hydroxy-3-isopentyl-6-phenyl-pyran-4-one CAS Name: 5-[(2,6-dimethylphenyl)thio]-2-hydroxy-3-(3-methylbutyl)-6-phenyl-4-pyranone IUPAC Name: 5-(2,6-dimethylphenyl)sulfanyl-2-hydroxy-3-(3-methylbutyl)-6-phenylpyran-4-one Traditional Name: 5-[(2,6-dimethylphenyl)thio]-2-hydroxy-3-isoamyl-6-phenyl-pyran-4-one Formula: C24H26O3S MolecularWeight: 394.52644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SC2=C(OC(=C(C2=O)CCC(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)SC2=C(OC(=C(C2=O)CCC(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C24H26O3S/c1-15(2)13-14-19-20(25)23(28-22-16(3)9-8-10-17(22)4)21(27-24(19)26)18-11-6-5-7-12-18/h5-12,15,26H,13-14H2,1-4H3