2-[2-(4-octylphenyl)ethyl]-2-[3-(oxan-2-yloxy)propyl]propanedioic acid

Systemtic Name: 2-[2-(4-octylphenyl)ethyl]-2-[3-(oxan-2-yloxy)propyl]propanedioic acid Openeye Name: 2-[2-(4-octylphenyl)ethyl]-2-(3-tetrahydropyran-2-yloxypropyl)propanedioic acid CAS Name: 2-[2-(4-octylphenyl)ethyl]-2-[3-(2-oxanyloxy)propyl]propanedioic acid IUPAC Name: 2-[2-(4-octylphenyl)ethyl]-2-[3-(oxan-2-yloxy)propyl]propanedioic acid Traditional Name: 2-[2-(4-octylphenyl)ethyl]-2-(3-tetrahydropyran-2-yloxypropyl)malonic acid Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCCOC2CCCCO2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCCOC2CCCCO2)(C(=O)O)C(=O)O

InChI

InChI=1S/C27H42O6/c1-2-3-4-5-6-7-11-22-13-15-23(16-14-22)17-19-27(25(28)29,26(30)31)18-10-21-33-24-12-8-9-20-32-24/h13-16,24H,2-12,17-21H2,1H3,(H,28,29)(H,30,31)