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

Systemtic Name: 3-[2-(9-methoxy-9-oxidanylidene-nonoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-hydroxyhexyl)-6-(9-methoxy-9-oxo-nonoxy)phenyl]propanoic acid CAS Name: 3-[2-(6-hydroxyhexyl)-6-(9-methoxy-9-oxononoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(6-hydroxyhexyl)-6-(9-methoxy-9-oxononoxy)phenyl]propanoic acid Traditional Name: 3-[2-(6-hydroxyhexyl)-6-(9-keto-9-methoxy-nonoxy)phenyl]propionic acid Formula: C25H40O6 MolecularWeight: 436.5815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

Isomeric SMILES

COC(=O)CCCCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

InChI

InChI=1S/C25H40O6/c1-30-25(29)16-9-4-2-3-7-11-20-31-23-15-12-14-21(13-8-5-6-10-19-26)22(23)17-18-24(27)28/h12,14-15,26H,2-11,13,16-20H2,1H3,(H,27,28)