3-[2-(2-methoxy-2-oxidanylidene-ethoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid

Systemtic Name: 3-[2-(2-methoxy-2-oxidanylidene-ethoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Openeye Name: 3-[2-(2-methoxy-2-oxo-ethoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(2-methoxy-2-oxoethoxy)-6-[6-(2-oxanyloxy)hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-(2-methoxy-2-oxoethoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Traditional Name: 3-[2-(2-keto-2-methoxy-ethoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propionic acid Formula: C23H34O7 MolecularWeight: 422.51186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

Isomeric SMILES

COC(=O)COC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

InChI

InChI=1S/C23H34O7/c1-27-22(26)17-30-20-11-8-10-18(19(20)13-14-21(24)25)9-4-2-3-6-15-28-23-12-5-7-16-29-23/h8,10-11,23H,2-7,9,12-17H2,1H3,(H,24,25)