5-(2,5-dimethylphenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-(2,5-dimethylphenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-(2,5-dimethylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)thio]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-(2,5-dimethylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[(2,5-dimethylphenyl)thio]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)SC2=C(C=CC(=C2)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)SC2=C(C=CC(=C2)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H28O3S/c1-4-13-24(14-12-19-8-6-5-7-9-19)16-20(25)22(23(26)27-24)28-21-15-17(2)10-11-18(21)3/h5-11,15,26H,4,12-14,16H2,1-3H3