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

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)


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