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

Systemtic Name: 3-[2-(5-methoxy-5-oxidanylidene-pentoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Openeye Name: 3-[2-(5-methoxy-5-oxo-pentoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(5-methoxy-5-oxopentoxy)-6-[6-(2-oxanyloxy)hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-(5-methoxy-5-oxopentoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Traditional Name: 3-[2-(5-keto-5-methoxy-pentoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propionic acid Formula: C26H40O7 MolecularWeight: 464.5916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O7/c1-30-25(29)14-5-8-18-31-23-13-10-12-21(22(23)16-17-24(27)28)11-4-2-3-7-19-32-26-15-6-9-20-33-26/h10,12-13,26H,2-9,11,14-20H2,1H3,(H,27,28)