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

Systemtic Name: 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-1,3-dithiolan-2-yl]propanoic acid Openeye Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylmethyl]-1,3-dithiolan-2-yl]propanoic acid CAS Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]methyl]-1,3-dithiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylmethyl]-1,3-dithiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]methyl]-1,3-dithiolan-2-yl]propionic acid Formula: C21H30O5S3 MolecularWeight: 458.6549

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2CSC(S2)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSCC2CSC(S2)CCC(=O)O

InChI

InChI=1S/C21H30O5S3/c1-3-5-17-18(7-6-16(14(2)22)21(17)25)26-10-4-11-27-12-15-13-28-20(29-15)9-8-19(23)24/h6-7,15,20,25H,3-5,8-13H2,1-2H3,(H,23,24)