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

Systemtic Name: methyl 4-[4-[1-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-2-oxidanyl-cyclohexyl]sulfanylphenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[1-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-hydroxy-cyclohexyl]sulfanylphenyl]-4-oxo-butanoate CAS Name: 4-[4-[[1-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-hydroxycyclohexyl]thio]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[1-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-hydroxycyclohexyl]sulfanylphenyl]-4-oxobutanoate Traditional Name: 4-[4-[[1-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-hydroxy-cyclohexyl]thio]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)OCC2(CCCCC2O)SC3=CC=C(C=C3)C(=O)CCC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2(CCCCC2O)SC3=CC=C(C=C3)C(=O)CCC(=O)OC

InChI

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