3-[2-(5-ethoxy-5-oxidanylidene-pentoxy)-6-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-ethoxy-5-oxidanylidene-pentoxy)-6-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[2-(5-ethoxy-5-oxo-pentoxy)-6-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[2-(5-ethoxy-5-oxopentoxy)-6-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(5-ethoxy-5-oxopentoxy)-6-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[2-(5-ethoxy-5-keto-pentoxy)-6-(5-methylsulfonyloxypentoxy)phenyl]propionic acid Formula: C22H34O9S MolecularWeight: 474.56496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=C(C(=CC=C1)OCCCCCOS(=O)(=O)C)CCC(=O)O

Isomeric SMILES

CCOC(=O)CCCCOC1=C(C(=CC=C1)OCCCCCOS(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C22H34O9S/c1-3-28-22(25)12-5-8-16-30-20-11-9-10-19(18(20)13-14-21(23)24)29-15-6-4-7-17-31-32(2,26)27/h9-11H,3-8,12-17H2,1-2H3,(H,23,24)