3-[2-(8-methoxy-8-oxidanylidene-octoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(8-methoxy-8-oxidanylidene-octoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(8-methoxy-8-oxo-octoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(8-methoxy-8-oxooctoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid IUPAC Name: 3-[2-(8-methoxy-8-oxooctoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propanoic acid Traditional Name: 3-[2-(8-keto-8-methoxy-octoxy)-6-(6-methylsulfonyloxyhexyl)phenyl]propionic acid Formula: C25H40O8S MolecularWeight: 500.6453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C25H40O8S/c1-31-25(28)16-9-4-3-6-10-19-32-23-15-12-14-21(22(23)17-18-24(26)27)13-8-5-7-11-20-33-34(2,29)30/h12,14-15H,3-11,13,16-20H2,1-2H3,(H,26,27)