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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclobutyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclobutyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclobutyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclobutyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclobutyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C29H36O5S MolecularWeight: 496.65814

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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=C(C=C3)O)C4CCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCC4)O

InChI

InChI=1S/C29H36O5S/c1-18-14-25(23(28(2,3)4)15-20(18)17-30)35-26-24(32)16-29(34-27(26)33,21-6-5-7-21)13-12-19-8-10-22(31)11-9-19/h8-11,14-15,21,30-31,33H,5-7,12-13,16-17H2,1-4H3