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

Systemtic Name: 3-[2-(6-methoxy-6-oxidanylidene-hexoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-methoxy-6-oxo-hexoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(6-methoxy-6-oxohexoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(6-methoxy-6-oxohexoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(6-keto-6-methoxy-hexoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C23H36O8S MolecularWeight: 472.59214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C23H36O8S/c1-29-23(26)14-7-5-8-17-30-21-13-10-12-19(20(21)15-16-22(24)25)11-6-3-4-9-18-31-32(2,27)28/h10,12-13H,3-9,11,14-18H2,1-2H3,(H,24,25)