methyl (3R,4S)-4-bromanyl-3-(2-bromanyl-3,4-dimethoxy-phenyl)-1-oxidanylidene-3H-isochromene-4-carboxylate

Systemtic Name: methyl (3R,4S)-4-bromanyl-3-(2-bromanyl-3,4-dimethoxy-phenyl)-1-oxidanylidene-3H-isochromene-4-carboxylate Openeye Name: methyl (3R,4S)-4-bromo-3-(2-bromo-3,4-dimethoxy-phenyl)-1-oxo-isochromane-4-carboxylate CAS Name: (3R,4S)-4-bromo-3-(2-bromo-3,4-dimethoxyphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-bromo-3-(2-bromo-3,4-dimethoxyphenyl)-1-oxo-3H-isochromene-4-carboxylate Traditional Name: (3R,4S)-4-bromo-3-(2-bromo-3,4-dimethoxy-phenyl)-1-keto-isochroman-4-carboxylic acid methyl ester Formula: C19H16Br2O6 MolecularWeight: 500.13474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2C(C3=CC=CC=C3C(=O)O2)(C(=O)OC)Br)Br)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@@H]2[C@@](C3=CC=CC=C3C(=O)O2)(C(=O)OC)Br)Br)OC

InChI

InChI=1S/C19H16Br2O6/c1-24-13-9-8-11(14(20)15(13)25-2)16-19(21,18(23)26-3)12-7-5-4-6-10(12)17(22)27-16/h4-9,16H,1-3H3/t16-,19+/m1/s1