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

Systemtic Name: 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-2-ethyl-1,3-oxathiolan-2-yl]propanoic acid Openeye Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-ethyl-1,3-oxathiolan-2-yl]propanoic acid CAS Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]methyl]-2-ethyl-1,3-oxathiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylmethyl]-2-ethyl-1,3-oxathiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]methyl]-2-ethyl-1,3-oxathiolan-2-yl]propionic acid Formula: C23H34O6S2 MolecularWeight: 470.64246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2COC(S2)(CC)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2COC(S2)(CC)CCC(=O)O

InChI

InChI=1S/C23H34O6S2/c1-4-7-19-20(9-8-18(16(3)24)22(19)27)28-12-6-13-30-15-17-14-29-23(5-2,31-17)11-10-21(25)26/h8-9,17,27H,4-7,10-15H2,1-3H3,(H,25,26)