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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-2-[2-(2-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-thiophen-2-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(2-thienyl)ethyl]-3H-pyran-4-one Formula: C26H34O4S2 MolecularWeight: 474.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CS3)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CS3)C(C)C)O

InChI

InChI=1S/C26H34O4S2/c1-16(2)26(10-9-19-8-7-11-31-19)14-21(28)23(24(29)30-26)32-22-12-17(3)18(15-27)13-20(22)25(4,5)6/h7-8,11-13,16,27,29H,9-10,14-15H2,1-6H3