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

Systemtic Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one CAS Name: 5-[(2-tert-butyl-5-methylphenyl)thio]-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(2-tert-butyl-5-methylphenyl)sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-phenyl)thio]-2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-4-one Formula: C29H36O4S MolecularWeight: 480.65874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCC4)O

InChI

InChI=1S/C29H36O4S/c1-19-9-14-23(28(2,3)4)25(17-19)34-26-24(31)18-29(33-27(26)32,21-7-5-6-8-21)16-15-20-10-12-22(30)13-11-20/h9-14,17,21,30,32H,5-8,15-16,18H2,1-4H3