3-[1-(2,6-dimethylphenyl)sulfanyl-3-methyl-butyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[1-(2,6-dimethylphenyl)sulfanyl-3-methyl-butyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[1-(2,6-dimethylphenyl)sulfanyl-3-methyl-butyl]-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[1-[(2,6-dimethylphenyl)thio]-3-methylbutyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[1-(2,6-dimethylphenyl)sulfanyl-3-methylbutyl]-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[1-[(2,6-dimethylphenyl)thio]-3-methyl-butyl]-2-hydroxy-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)SC(CC(C)C)C2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)SC(CC(C)C)C2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

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