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

Systemtic Name: 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-2-phenyl-1,3-oxathiolan-2-yl]propanoic acid Openeye Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-phenyl-1,3-oxathiolan-2-yl]propanoic acid CAS Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]methyl]-2-phenyl-1,3-oxathiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylmethyl]-2-phenyl-1,3-oxathiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]methyl]-2-phenyl-1,3-oxathiolan-2-yl]propionic acid Formula: C27H34O6S2 MolecularWeight: 518.68526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2COC(S2)(CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2COC(S2)(CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H34O6S2/c1-3-8-23-24(12-11-22(19(2)28)26(23)31)32-15-7-16-34-18-21-17-33-27(35-21,14-13-25(29)30)20-9-5-4-6-10-20/h4-6,9-12,21,31H,3,7-8,13-18H2,1-2H3,(H,29,30)