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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C21H32O8S/c1-27-21(24)12-8-15-28-19-11-7-10-17(18(19)13-14-20(22)23)9-5-3-4-6-16-29-30(2,25)26/h7,10-11H,3-6,8-9,12-16H2,1-2H3,(H,22,23)