3-[3-(2-carboxyethyl)-4-octoxy-phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-octoxy-phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-octoxy-benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-octoxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-octoxybenzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-octoxy-benzoyl]benzoic acid Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C25H30O6/c1-2-3-4-5-6-7-15-31-22-13-11-20(16-18(22)12-14-23(26)27)24(28)19-9-8-10-21(17-19)25(29)30/h8-11,13,16-17H,2-7,12,14-15H2,1H3,(H,26,27)(H,29,30)