2-[2-(2-bromanyl-3,4,5-trimethoxy-phenyl)-4-oxidanylidene-chromen-8-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-3,4,5-trimethoxy-phenyl)-4-oxidanylidene-chromen-8-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-3,4,5-trimethoxy-phenyl)-4-oxo-chromen-8-yl]acetic acid CAS Name: 2-[2-(2-bromo-3,4,5-trimethoxyphenyl)-4-oxo-1-benzopyran-8-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-3,4,5-trimethoxyphenyl)-4-oxochromen-8-yl]acetic acid Traditional Name: 2-[2-(2-bromo-3,4,5-trimethoxy-phenyl)-4-keto-chromen-8-yl]acetic acid Formula: C20H17BrO7 MolecularWeight: 449.24878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)CC(=O)O)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)CC(=O)O)Br)OC)OC

InChI

InChI=1S/C20H17BrO7/c1-25-15-8-12(17(21)20(27-3)19(15)26-2)14-9-13(22)11-6-4-5-10(7-16(23)24)18(11)28-14/h4-6,8-9H,7H2,1-3H3,(H,23,24)