5-[2-tert-butyl-4-(2-hydroxyethyloxy)-5-methyl-phenyl]sulfanyl-2,2-bis[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 5-[2-tert-butyl-4-(2-hydroxyethyloxy)-5-methyl-phenyl]sulfanyl-2,2-bis[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(2-hydroxyethoxy)-5-methyl-phenyl]sulfanyl-6-hydroxy-2,2-bis[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]thio]-6-hydroxy-2,2-bis[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl-6-hydroxy-2,2-bis[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[[2-tert-butyl-4-(2-hydroxyethoxy)-5-methyl-phenyl]thio]-2,2-dihomovanillyl-6-hydroxy-3H-pyran-4-one Formula: C36H44O9S MolecularWeight: 652.79416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC(=C(C=C3)O)OC)CCC4=CC(=C(C=C4)O)OC)O)C(C)(C)C)OCCO

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC(=C(C=C3)O)OC)CCC4=CC(=C(C=C4)O)OC)O)C(C)(C)C)OCCO

InChI

InChI=1S/C36H44O9S/c1-22-17-32(25(35(2,3)4)20-29(22)44-16-15-37)46-33-28(40)21-36(45-34(33)41,13-11-23-7-9-26(38)30(18-23)42-5)14-12-24-8-10-27(39)31(19-24)43-6/h7-10,17-20,37-39,41H,11-16,21H2,1-6H3