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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-[2-(4-methylfuran-3-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-2-[2-(4-methyl-3-furyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-[2-(4-methyl-3-furanyl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-[2-(4-methylfuran-3-yl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(4-methyl-3-furyl)ethyl]-3H-pyran-4-one Formula: C27H36O5S MolecularWeight: 472.63674

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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=COC=C3C)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=COC=C3C)C(C)C)O

InChI

InChI=1S/C27H36O5S/c1-16(2)27(9-8-19-15-31-14-18(19)4)12-22(29)24(25(30)32-27)33-23-10-17(3)20(13-28)11-21(23)26(5,6)7/h10-11,14-16,28,30H,8-9,12-13H2,1-7H3