(2R)-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: (2R)-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: (2R)-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one CAS Name: (2R)-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one IUPAC Name: (2R)-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Traditional Name: (2R)-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(O[C@@](CC2=O)(CCC3=CC=CC=C3)C(C)C)O

InChI

InChI=1S/C28H36O4S/c1-18(2)28(13-12-20-10-8-7-9-11-20)16-23(30)25(26(31)32-28)33-24-14-19(3)21(17-29)15-22(24)27(4,5)6/h7-11,14-15,18,29,31H,12-13,16-17H2,1-6H3/t28-/m1/s1