3-[2-(5-methoxy-5-oxidanylidene-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-methoxy-5-oxidanylidene-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(5-methoxy-5-oxo-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(5-methoxy-5-oxopentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(5-methoxy-5-oxopentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(5-keto-5-methoxy-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C22H34O8S MolecularWeight: 458.56556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C22H34O8S/c1-28-22(25)13-6-8-16-29-20-12-9-11-18(19(20)14-15-21(23)24)10-5-3-4-7-17-30-31(2,26)27/h9,11-12H,3-8,10,13-17H2,1-2H3,(H,23,24)