3-[5-(4-methoxy-4-oxidanylidene-butoxy)-2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[5-(4-methoxy-4-oxidanylidene-butoxy)-2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[5-(4-methoxy-4-oxo-butoxy)-2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[5-(4-methoxy-4-oxobutoxy)-2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[5-(4-methoxy-4-oxobutoxy)-2-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[5-(4-keto-4-methoxy-butoxy)-2-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C21H32O8S MolecularWeight: 444.53898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC(=C(C=C1)CCCCCCOS(=O)(=O)C)CCC(=O)O

Isomeric SMILES

COC(=O)CCCOC1=CC(=C(C=C1)CCCCCCOS(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C21H32O8S/c1-27-21(24)9-7-14-28-19-12-10-17(18(16-19)11-13-20(22)23)8-5-3-4-6-15-29-30(2,25)26/h10,12,16H,3-9,11,13-15H2,1-2H3,(H,22,23)