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

Systemtic Name: 3-[2-(6-methoxy-6-oxidanylidene-hexoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-hydroxyhexyl)-6-(6-methoxy-6-oxo-hexoxy)phenyl]propanoic acid CAS Name: 3-[2-(6-hydroxyhexyl)-6-(6-methoxy-6-oxohexoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(6-hydroxyhexyl)-6-(6-methoxy-6-oxohexoxy)phenyl]propanoic acid Traditional Name: 3-[2-(6-hydroxyhexyl)-6-(6-keto-6-methoxy-hexoxy)phenyl]propionic acid Formula: C22H34O6 MolecularWeight: 394.50176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

Isomeric SMILES

COC(=O)CCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

InChI

InChI=1S/C22H34O6/c1-27-22(26)13-6-4-8-17-28-20-12-9-11-18(10-5-2-3-7-16-23)19(20)14-15-21(24)25/h9,11-12,23H,2-8,10,13-17H2,1H3,(H,24,25)