3-[2-(7-ethoxy-7-oxidanylidene-heptoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid

Systemtic Name: 3-[2-(7-ethoxy-7-oxidanylidene-heptoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Openeye Name: 3-[2-(7-ethoxy-7-oxo-heptoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propanoic acid CAS Name: 3-[2-(7-ethoxy-7-oxoheptoxy)-6-[6-(2-oxanyloxy)hexyl]phenyl]propanoic acid IUPAC Name: 3-[2-(7-ethoxy-7-oxoheptoxy)-6-[6-(oxan-2-yloxy)hexyl]phenyl]propanoic acid Traditional Name: 3-[2-(7-ethoxy-7-keto-heptoxy)-6-(6-tetrahydropyran-2-yloxyhexyl)phenyl]propionic acid Formula: C29H46O7 MolecularWeight: 506.67134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

Isomeric SMILES

CCOC(=O)CCCCCCOC1=CC=CC(=C1CCC(=O)O)CCCCCCOC2CCCCO2

InChI

InChI=1S/C29H46O7/c1-2-33-28(32)17-8-4-6-10-21-34-26-16-13-15-24(25(26)19-20-27(30)31)14-7-3-5-11-22-35-29-18-9-12-23-36-29/h13,15-16,29H,2-12,14,17-23H2,1H3,(H,30,31)