3-[2-(2-carboxyethyl)-4-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentylsulfanylmethyl]-1,3-oxathiolan-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-4-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentylsulfanylmethyl]-1,3-oxathiolan-2-yl]propanoic acid Openeye Name: 3-[4-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentylsulfanylmethyl]-2-(2-carboxyethyl)-1,3-oxathiolan-2-yl]propanoic acid CAS Name: 3-[4-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentylthio]methyl]-2-(2-carboxyethyl)-1,3-oxathiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentylsulfanylmethyl]-2-(2-carboxyethyl)-1,3-oxathiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentylthio]methyl]-2-(2-carboxyethyl)-1,3-oxathiolan-2-yl]propionic acid Formula: C26H38O8S2 MolecularWeight: 542.70512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCSCC2COC(S2)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCSCC2COC(S2)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C26H38O8S2/c1-3-7-21-22(9-8-20(18(2)27)25(21)32)33-14-5-4-6-15-35-17-19-16-34-26(36-19,12-10-23(28)29)13-11-24(30)31/h8-9,19,32H,3-7,10-17H2,1-2H3,(H,28,29)(H,30,31)