2-(1,3-benzodioxol-5-yloxy)-6-[2-(2-carboxyethyl)-4-methoxy-phenoxy]benzoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-6-[2-(2-carboxyethyl)-4-methoxy-phenoxy]benzoic acid Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-6-[2-(2-carboxyethyl)-4-methoxy-phenoxy]benzoic acid CAS Name: 2-(1,3-benzodioxol-5-yloxy)-6-[2-(2-carboxyethyl)-4-methoxyphenoxy]benzoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-6-[2-(2-carboxyethyl)-4-methoxyphenoxy]benzoic acid Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-6-[2-(2-carboxyethyl)-4-methoxy-phenoxy]benzoic acid Formula: C24H20O9 MolecularWeight: 452.4102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2=CC=CC(=C2C(=O)O)OC3=CC4=C(C=C3)OCO4)CCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC2=CC=CC(=C2C(=O)O)OC3=CC4=C(C=C3)OCO4)CCC(=O)O

InChI

InChI=1S/C24H20O9/c1-29-15-6-8-17(14(11-15)5-10-22(25)26)33-20-4-2-3-19(23(20)24(27)28)32-16-7-9-18-21(12-16)31-13-30-18/h2-4,6-9,11-12H,5,10,13H2,1H3,(H,25,26)(H,27,28)