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

Systemtic Name: 3-[3-(2-carboxyethyl)-4-hexoxy-phenyl]carbonylbenzoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-hexoxy-benzoyl]benzoic acid CAS Name: 3-[[3-(2-carboxyethyl)-4-hexoxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-hexoxybenzoyl]benzoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-hexoxy-benzoyl]benzoic acid Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)CCC(=O)O

InChI

InChI=1S/C23H26O6/c1-2-3-4-5-13-29-20-11-9-18(14-16(20)10-12-21(24)25)22(26)17-7-6-8-19(15-17)23(27)28/h6-9,11,14-15H,2-5,10,12-13H2,1H3,(H,24,25)(H,27,28)