3-[2-(5-ethoxy-5-oxidanylidene-pentoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid

Systemtic Name: 3-[2-(5-ethoxy-5-oxidanylidene-pentoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Openeye Name: 3-[2-(5-ethoxy-5-oxo-pentoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(5-ethoxy-5-oxopentoxy)-6-[6-(2-oxanyloxy)hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-(5-ethoxy-5-oxopentoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Traditional Name: 3-[2-(5-ethoxy-5-keto-pentoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propionic acid Formula: C27H42O7 MolecularWeight: 478.61818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

Isomeric SMILES

CCOC(=O)CCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

InChI

InChI=1S/C27H42O7/c1-2-31-26(30)15-6-9-19-32-24-14-11-13-22(23(24)17-18-25(28)29)12-5-3-4-8-20-33-27-16-7-10-21-34-27/h11,13-14,27H,2-10,12,15-21H2,1H3,(H,28,29)