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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-pentyl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-pentyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-pentyl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-pentyl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 2-amyl-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-[2-(3-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=CSC=C3

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=C(C=C(C(=C2)C)CO)C(C)(C)C)CCC3=CSC=C3

InChI

InChI=1S/C28H38O4S2/c1-6-7-8-11-28(12-9-20-10-13-33-18-20)16-23(30)25(26(31)32-28)34-24-14-19(2)21(17-29)15-22(24)27(3,4)5/h10,13-15,18,29,31H,6-9,11-12,16-17H2,1-5H3