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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-[4-(2-hydroxyethyloxy)phenyl]-6-oxidanyl-2-phenethyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-2-phenethyl-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-2-phenethyl-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-2-phenethyl-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-2-phenethyl-3H-pyran-4-one Formula: C33H38O6S MolecularWeight: 562.71622

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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)C4=CC=C(C=C4)OCCO)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCCO)O

InChI

InChI=1S/C33H38O6S/c1-22-18-29(27(32(2,3)4)19-24(22)21-35)40-30-28(36)20-33(39-31(30)37,15-14-23-8-6-5-7-9-23)25-10-12-26(13-11-25)38-17-16-34/h5-13,18-19,34-35,37H,14-17,20-21H2,1-4H3