methyl 4-[4-[[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-oxidanyl-cyclohexyl]methylsulfanyl]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-oxidanyl-cyclohexyl]methylsulfanyl]phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-hydroxy-cyclohexyl]methylsulfanyl]phenyl]-4-oxo-butanoate CAS Name: 4-[4-[[2-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxycyclohexyl]methylthio]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[[2-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxycyclohexyl]methylsulfanyl]phenyl]-4-oxobutanoate Traditional Name: 4-[4-[[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-hydroxy-cyclohexyl]methylthio]phenyl]-4-keto-butyric acid methyl ester Formula: C29H36O7S MolecularWeight: 528.65694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCCC2(CSC3=CC=C(C=C3)C(=O)CCC(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCCC2(CSC3=CC=C(C=C3)C(=O)CCC(=O)OC)O

InChI

InChI=1S/C29H36O7S/c1-4-7-23-25(15-13-22(19(2)30)28(23)33)36-26-8-5-6-17-29(26,34)18-37-21-11-9-20(10-12-21)24(31)14-16-27(32)35-3/h9-13,15,26,33-34H,4-8,14,16-18H2,1-3H3