4-[2-cyclohexyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-1,3-oxathiolan-2-yl]butanoic acid

Systemtic Name: 4-[2-cyclohexyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-1,3-oxathiolan-2-yl]butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-cyclohexyl-1,3-oxathiolan-2-yl]butanoic acid CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]methyl]-2-cyclohexyl-1,3-oxathiolan-2-yl]butanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylmethyl]-2-cyclohexyl-1,3-oxathiolan-2-yl]butanoic acid Traditional Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]methyl]-2-cyclohexyl-1,3-oxathiolan-2-yl]butyric acid Formula: C28H42O6S2 MolecularWeight: 538.75948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2COC(S2)(CCCC(=O)O)C3CCCCC3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2COC(S2)(CCCC(=O)O)C3CCCCC3

InChI

InChI=1S/C28H42O6S2/c1-3-9-24-25(14-13-23(20(2)29)27(24)32)33-16-8-17-35-19-22-18-34-28(36-22,15-7-12-26(30)31)21-10-5-4-6-11-21/h13-14,21-22,32H,3-12,15-19H2,1-2H3,(H,30,31)