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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-pentyl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-pentyl-2-[2-(2-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-pentyl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-pentyl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one Traditional Name: 2-amyl-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-[2-(2-thienyl)ethyl]-3H-pyran-4-one Formula: C28H38O4S2 MolecularWeight: 502.72892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SC2=C(C=C(C(=C2)C)CO)C(C)(C)C)CCC3=CC=CS3

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=C(C=C(C(=C2)C)CO)C(C)(C)C)CCC3=CC=CS3

InChI

InChI=1S/C28H38O4S2/c1-6-7-8-12-28(13-11-21-10-9-14-33-21)17-23(30)25(26(31)32-28)34-24-15-19(2)20(18-29)16-22(24)27(3,4)5/h9-10,14-16,29,31H,6-8,11-13,17-18H2,1-5H3