3-[2-(5-acetyloxypentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-acetyloxypentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(5-acetoxypentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(5-acetyloxypentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(5-acetyloxypentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(5-acetoxypentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C23H36O8S MolecularWeight: 472.59214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

CC(=O)OCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C23H36O8S/c1-19(24)29-16-7-5-8-17-30-22-13-10-12-20(21(22)14-15-23(25)26)11-6-3-4-9-18-31-32(2,27)28/h10,12-13H,3-9,11,14-18H2,1-2H3,(H,25,26)