2-[2-(carboxymethyloxy)-4-[7-(carboxymethyloxy)-5-oxidanyl-4-oxidanylidene-chromen-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(carboxymethyloxy)-4-[7-(carboxymethyloxy)-5-oxidanyl-4-oxidanylidene-chromen-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[2-(carboxymethyloxy)-4-[7-(carboxymethyloxy)-5-hydroxy-4-oxo-chromen-2-yl]phenoxy]acetic acid CAS Name: 2-[2-(carboxymethyloxy)-4-[7-(carboxymethyloxy)-5-hydroxy-4-oxo-1-benzopyran-2-yl]phenoxy]acetic acid IUPAC Name: 2-[2-(carboxymethyloxy)-4-[7-(carboxymethyloxy)-5-hydroxy-4-oxochromen-2-yl]phenoxy]acetic acid Traditional Name: 2-[2-(carboxymethyloxy)-4-[7-(carboxymethyloxy)-5-hydroxy-4-keto-chromen-2-yl]phenoxy]acetic acid Formula: C21H16O12 MolecularWeight: 460.34454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)OCC(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OCC(=O)O)O)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C21H16O12/c22-12-4-11(30-7-18(24)25)5-17-21(12)13(23)6-15(33-17)10-1-2-14(31-8-19(26)27)16(3-10)32-9-20(28)29/h1-6,22H,7-9H2,(H,24,25)(H,26,27)(H,28,29)