3-[2-(5-methoxy-5-oxidanylidene-pentoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(5-methoxy-5-oxidanylidene-pentoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-hydroxyhexyl)-6-(5-methoxy-5-oxo-pentoxy)phenyl]propanoic acid CAS Name: 3-[2-(6-hydroxyhexyl)-6-(5-methoxy-5-oxopentoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(6-hydroxyhexyl)-6-(5-methoxy-5-oxopentoxy)phenyl]propanoic acid Traditional Name: 3-[2-(6-hydroxyhexyl)-6-(5-keto-5-methoxy-pentoxy)phenyl]propionic acid Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

Isomeric SMILES

COC(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

InChI

InChI=1S/C21H32O6/c1-26-21(25)12-5-7-16-27-19-11-8-10-17(9-4-2-3-6-15-22)18(19)13-14-20(23)24/h8,10-11,22H,2-7,9,12-16H2,1H3,(H,23,24)