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

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-oxidanyl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclohexyl-6-hydroxy-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-2-cyclohexyl-6-hydroxy-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-2-cyclohexyl-6-hydroxy-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-2-cyclohexyl-6-hydroxy-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C29H38O4S2 MolecularWeight: 514.73962

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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=CSC=C3)C4CCCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C4CCCCC4)O

InChI

InChI=1S/C29H38O4S2/c1-19-14-25(23(28(2,3)4)15-21(19)17-30)35-26-24(31)16-29(33-27(26)32,22-8-6-5-7-9-22)12-10-20-11-13-34-18-20/h11,13-15,18,22,30,32H,5-10,12,16-17H2,1-4H3