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

Systemtic Name: 5-[2-tert-butyl-5-ethyl-4-(hydroxymethyl)phenyl]sulfanyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-5-ethyl-4-(hydroxymethyl)phenyl]sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-5-ethyl-4-(hydroxymethyl)phenyl]thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-5-ethyl-4-(hydroxymethyl)phenyl]sulfanyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-ethyl-4-methylol-phenyl)thio]-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-3H-pyran-4-one Formula: C29H38O5S MolecularWeight: 498.67402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O

Isomeric SMILES

CCC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O

InChI

InChI=1S/C29H38O5S/c1-7-20-15-25(23(28(4,5)6)14-21(20)17-30)35-26-24(32)16-29(18(2)3,34-27(26)33)13-12-19-8-10-22(31)11-9-19/h8-11,14-15,18,30-31,33H,7,12-13,16-17H2,1-6H3