2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoic acid

Systemtic Name: 2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanoic acid Openeye Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl]oxyacetic acid CAS Name: 2-[[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetic acid IUPAC Name: 2-[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxyacetic acid Traditional Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl]oxyacetic acid Formula: C19H15BrO7 MolecularWeight: 435.2222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=O)O)Br)OC

InChI

InChI=1S/C19H15BrO7/c1-24-14-8-10(7-12(20)18(14)25-2)17-19(26-9-15(21)22)16(23)11-5-3-4-6-13(11)27-17/h3-8H,9H2,1-2H3,(H,21,22)