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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C31H40O5S MolecularWeight: 524.7113

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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)C4CCCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCCC4)O

InChI

InChI=1S/C31H40O5S/c1-20-16-27(25(30(2,3)4)17-22(20)19-32)37-28-26(34)18-31(36-29(28)35,23-8-6-5-7-9-23)15-14-21-10-12-24(33)13-11-21/h10-13,16-17,23,32-33,35H,5-9,14-15,18-19H2,1-4H3