3-[2-(9-methoxy-9-oxidanylidene-nonoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(9-methoxy-9-oxidanylidene-nonoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(9-methoxy-9-oxo-nonoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(9-methoxy-9-oxononoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(9-methoxy-9-oxononoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(9-keto-9-methoxy-nonoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C26H42O8S MolecularWeight: 514.67188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C26H42O8S/c1-32-26(29)17-10-5-3-4-7-11-20-33-24-16-13-15-22(23(24)18-19-25(27)28)14-9-6-8-12-21-34-35(2,30)31/h13,15-16H,3-12,14,17-21H2,1-2H3,(H,27,28)