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

Systemtic Name: 5-[2-tert-butyl-4-(2-hydroxyethyloxy)-5-methyl-phenyl]sulfanyl-2,2-dicyclopentyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(2-hydroxyethoxy)-5-methyl-phenyl]sulfanyl-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]thio]-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one Traditional Name: 5-[[2-tert-butyl-4-(2-hydroxyethoxy)-5-methyl-phenyl]thio]-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one Formula: C28H40O5S MolecularWeight: 488.6792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O)C(C)(C)C)OCCO

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O)C(C)(C)C)OCCO

InChI

InChI=1S/C28H40O5S/c1-18-15-24(21(27(2,3)4)16-23(18)32-14-13-29)34-25-22(30)17-28(33-26(25)31,19-9-5-6-10-19)20-11-7-8-12-20/h15-16,19-20,29,31H,5-14,17H2,1-4H3