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

Systemtic Name: 3-[4-(2,6-dimethylphenyl)sulfanyl-3-methyl-butyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[4-(2,6-dimethylphenyl)sulfanyl-3-methyl-butyl]-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[4-[(2,6-dimethylphenyl)thio]-3-methylbutyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[4-(2,6-dimethylphenyl)sulfanyl-3-methylbutyl]-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[4-[(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)SCC(C)CCC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)SCC(C)CCC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H26O3S/c1-16(15-28-23-17(2)8-7-9-18(23)3)12-13-20-21(25)14-22(27-24(20)26)19-10-5-4-6-11-19/h4-11,14,16,26H,12-13,15H2,1-3H3