5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2,3-dihydropyran-4-one

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2,3-dihydropyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-phenethyl-2,3-dihydropyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-phenethyl-2,3-dihydropyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-phenethyl-2,3-dihydropyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-phenethyl-2,3-dihydropyran-4-one Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)CCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)CCC3=CC=CC=C3)O

InChI

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