3-[2-(7-methoxy-7-oxidanylidene-heptoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(7-methoxy-7-oxidanylidene-heptoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(7-methoxy-7-oxo-heptoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(7-methoxy-7-oxoheptoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(7-methoxy-7-oxoheptoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(7-keto-7-methoxy-heptoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C24H38O8S MolecularWeight: 486.61872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C24H38O8S/c1-30-24(27)15-8-4-5-9-18-31-22-14-11-13-20(21(22)16-17-23(25)26)12-7-3-6-10-19-32-33(2,28)29/h11,13-14H,3-10,12,15-19H2,1-2H3,(H,25,26)