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

Systemtic Name: 3-[2-(6-ethoxy-6-oxidanylidene-hexoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Openeye Name: 3-[2-(6-ethoxy-6-oxo-hexoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(6-ethoxy-6-oxohexoxy)-6-[6-(2-oxanyloxy)hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-(6-ethoxy-6-oxohexoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Traditional Name: 3-[2-(6-ethoxy-6-keto-hexoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propionic acid Formula: C28H44O7 MolecularWeight: 492.64476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

InChI

InChI=1S/C28H44O7/c1-2-32-27(31)16-7-5-10-20-33-25-15-12-14-23(24(25)18-19-26(29)30)13-6-3-4-9-21-34-28-17-8-11-22-35-28/h12,14-15,28H,2-11,13,16-22H2,1H3,(H,29,30)