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

Systemtic Name: 3-[2-(7-methoxy-7-oxidanylidene-heptoxy)-6-(6-oxidanylhexyl)phenyl]propanoic acid Openeye Name: 3-[2-(6-hydroxyhexyl)-6-(7-methoxy-7-oxo-heptoxy)phenyl]propanoic acid CAS Name: 3-[2-(6-hydroxyhexyl)-6-(7-methoxy-7-oxoheptoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(6-hydroxyhexyl)-6-(7-methoxy-7-oxoheptoxy)phenyl]propanoic acid Traditional Name: 3-[2-(6-hydroxyhexyl)-6-(7-keto-7-methoxy-heptoxy)phenyl]propionic acid Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

Isomeric SMILES

COC(=O)CCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCO

InChI

InChI=1S/C23H36O6/c1-28-23(27)14-7-3-5-9-18-29-21-13-10-12-19(11-6-2-4-8-17-24)20(21)15-16-22(25)26/h10,12-13,24H,2-9,11,14-18H2,1H3,(H,25,26)