3-[2-(2-carboxyethyl)-4-[3-(2-propylphenoxy)propylsulfanylmethyl]-1,3-oxathiolan-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-4-[3-(2-propylphenoxy)propylsulfanylmethyl]-1,3-oxathiolan-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-4-[3-(2-propylphenoxy)propylsulfanylmethyl]-1,3-oxathiolan-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-4-[[3-(2-propylphenoxy)propylthio]methyl]-1,3-oxathiolan-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-4-[3-(2-propylphenoxy)propylsulfanylmethyl]-1,3-oxathiolan-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-[[3-(2-propylphenoxy)propylthio]methyl]-1,3-oxathiolan-2-yl]propionic acid Formula: C22H32O6S2 MolecularWeight: 456.61588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCCCSCC2COC(S2)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCC1=CC=CC=C1OCCCSCC2COC(S2)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C22H32O6S2/c1-2-6-17-7-3-4-8-19(17)27-13-5-14-29-16-18-15-28-22(30-18,11-9-20(23)24)12-10-21(25)26/h3-4,7-8,18H,2,5-6,9-16H2,1H3,(H,23,24)(H,25,26)