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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2,2-dicyclopentyl-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2,2-dicyclopentyl-6-hydroxy-3H-pyran-4-one Formula: C27H38O4S MolecularWeight: 458.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O

InChI

InChI=1S/C27H38O4S/c1-17-13-23(21(26(2,3)4)14-18(17)16-28)32-24-22(29)15-27(31-25(24)30,19-9-5-6-10-19)20-11-7-8-12-20/h13-14,19-20,28,30H,5-12,15-16H2,1-4H3