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

Systemtic Name: 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid Openeye Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid CAS Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]methyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]methyl]-2-methyl-1,3-dithiolan-2-yl]propionic acid Formula: C22H32O5S3 MolecularWeight: 472.68148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O5S3/c1-4-6-18-19(8-7-17(15(2)23)21(18)26)27-11-5-12-28-13-16-14-29-22(3,30-16)10-9-20(24)25/h7-8,16,26H,4-6,9-14H2,1-3H3,(H,24,25)