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

Systemtic Name: 3-[2-(5-methoxy-4,4-dimethyl-5-oxidanylidene-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(5-methoxy-4,4-dimethyl-5-oxo-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(5-methoxy-4,4-dimethyl-5-oxopentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(5-methoxy-4,4-dimethyl-5-oxopentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(5-keto-5-methoxy-4,4-dimethyl-pentoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C24H38O8S MolecularWeight: 486.61872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O8S/c1-24(2,23(27)30-3)16-10-17-31-21-13-9-12-19(20(21)14-15-22(25)26)11-7-5-6-8-18-32-33(4,28)29/h9,12-13H,5-8,10-11,14-18H2,1-4H3,(H,25,26)