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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C30H38O5S MolecularWeight: 510.68472

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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)C4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCC4)O

InChI

InChI=1S/C30H38O5S/c1-19-15-26(24(29(2,3)4)16-21(19)18-31)36-27-25(33)17-30(35-28(27)34,22-7-5-6-8-22)14-13-20-9-11-23(32)12-10-20/h9-12,15-16,22,31-32,34H,5-8,13-14,17-18H2,1-4H3