3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-ethoxy-methyl]benzoic acid

Systemtic Name: 3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-ethoxy-methyl]benzoic acid Openeye Name: 3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-ethoxy-methyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-decoxyphenyl]-ethoxymethyl]benzoic acid IUPAC Name: 3-[[3-(2-carboxyethyl)-4-decoxyphenyl]-ethoxymethyl]benzoic acid Traditional Name: 3-[[3-(2-carboxyethyl)-4-decoxy-phenyl]-ethoxy-methyl]benzoic acid Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O6/c1-3-5-6-7-8-9-10-11-19-35-26-17-15-24(20-22(26)16-18-27(30)31)28(34-4-2)23-13-12-14-25(21-23)29(32)33/h12-15,17,20-21,28H,3-11,16,18-19H2,1-2H3,(H,30,31)(H,32,33)