2-[1-(4-octylphenyl)-5-(oxan-2-yloxy)pentan-3-yl]propanedioic acid

Systemtic Name: 2-[1-(4-octylphenyl)-5-(oxan-2-yloxy)pentan-3-yl]propanedioic acid Openeye Name: 2-[1-[2-(4-octylphenyl)ethyl]-3-tetrahydropyran-2-yloxy-propyl]propanedioic acid CAS Name: 2-[1-(4-octylphenyl)-5-(2-oxanyloxy)pentan-3-yl]propanedioic acid IUPAC Name: 2-[1-(4-octylphenyl)-5-(oxan-2-yloxy)pentan-3-yl]propanedioic acid Traditional Name: 2-[1-[2-(4-octylphenyl)ethyl]-3-tetrahydropyran-2-yloxy-propyl]malonic acid Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCOC2CCCCO2)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCOC2CCCCO2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C27H42O6/c1-2-3-4-5-6-7-10-21-12-14-22(15-13-21)16-17-23(25(26(28)29)27(30)31)18-20-33-24-11-8-9-19-32-24/h12-15,23-25H,2-11,16-20H2,1H3,(H,28,29)(H,30,31)