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

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-oxathiolan-2-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-oxathiolan-2-yl]acetic acid CAS Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]methyl]-2-methyl-1,3-oxathiolan-2-yl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylmethyl]-2-methyl-1,3-oxathiolan-2-yl]acetic acid Traditional Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]methyl]-2-methyl-1,3-oxathiolan-2-yl]acetic acid Formula: C21H30O6S2 MolecularWeight: 442.5893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O6S2/c1-4-6-17-18(8-7-16(14(2)22)20(17)25)26-9-5-10-28-13-15-12-27-21(3,29-15)11-19(23)24/h7-8,15,25H,4-6,9-13H2,1-3H3,(H,23,24)