3-[5-(4-ethoxy-4-oxidanylidene-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid

Systemtic Name: 3-[5-(4-ethoxy-4-oxidanylidene-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[5-(4-ethoxy-4-oxo-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[5-(4-ethoxy-4-oxobutoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[5-(4-ethoxy-4-oxobutoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[5-(4-ethoxy-4-keto-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propionic acid Formula: C21H32O9S MolecularWeight: 460.53838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC(=C(C=C1)OCCCCCOS(=O)(=O)C)CCC(=O)O

Isomeric SMILES

CCOC(=O)CCCOC1=CC(=C(C=C1)OCCCCCOS(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C21H32O9S/c1-3-27-21(24)8-7-14-28-18-10-11-19(17(16-18)9-12-20(22)23)29-13-5-4-6-15-30-31(2,25)26/h10-11,16H,3-9,12-15H2,1-2H3,(H,22,23)