3-[2-(4-ethoxy-4-oxidanylidene-butoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid

Systemtic Name: 3-[2-(4-ethoxy-4-oxidanylidene-butoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Openeye Name: 3-[2-(4-ethoxy-4-oxo-butoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(4-ethoxy-4-oxobutoxy)-6-[6-(2-oxanyloxy)hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-(4-ethoxy-4-oxobutoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Traditional Name: 3-[2-(4-ethoxy-4-keto-butoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propionic acid Formula: C26H40O7 MolecularWeight: 464.5916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

InChI

InChI=1S/C26H40O7/c1-2-30-25(29)14-10-20-31-23-13-9-12-21(22(23)16-17-24(27)28)11-5-3-4-7-18-32-26-15-6-8-19-33-26/h9,12-13,26H,2-8,10-11,14-20H2,1H3,(H,27,28)