3-[5-[2-(carboxymethyl)phenyl]carbonyl-2-decoxy-phenyl]propanoic acid

Systemtic Name: 3-[5-[2-(carboxymethyl)phenyl]carbonyl-2-decoxy-phenyl]propanoic acid Openeye Name: 3-[5-[2-(carboxymethyl)benzoyl]-2-decoxy-phenyl]propanoic acid CAS Name: 3-[5-[[2-(carboxymethyl)phenyl]-oxomethyl]-2-decoxyphenyl]propanoic acid IUPAC Name: 3-[5-[2-(carboxymethyl)benzoyl]-2-decoxyphenyl]propanoic acid Traditional Name: 3-[5-[2-(carboxymethyl)benzoyl]-2-decoxy-phenyl]propionic acid Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2CC(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2CC(=O)O)CCC(=O)O

InChI

InChI=1S/C28H36O6/c1-2-3-4-5-6-7-8-11-18-34-25-16-14-23(19-22(25)15-17-26(29)30)28(33)24-13-10-9-12-21(24)20-27(31)32/h9-10,12-14,16,19H,2-8,11,15,17-18,20H2,1H3,(H,29,30)(H,31,32)