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

Systemtic Name: 3-[2-(2-methoxy-2-oxidanylidene-ethoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-methoxy-2-oxo-ethoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(2-methoxy-2-oxoethoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-methoxy-2-oxoethoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-keto-2-methoxy-ethoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C19H28O8S MolecularWeight: 416.48582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)COC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C19H28O8S/c1-25-19(22)14-26-17-10-7-9-15(16(17)11-12-18(20)21)8-5-3-4-6-13-27-28(2,23)24/h7,9-10H,3-6,8,11-14H2,1-2H3,(H,20,21)