methyl 6,8-bis(bromanyl)-2-oxidanylidene-4-(1-oxidanylidene-1-phenyl-butan-2-yl)-3,4-dihydrochromene-3-carboxylate

Systemtic Name: methyl 6,8-bis(bromanyl)-2-oxidanylidene-4-(1-oxidanylidene-1-phenyl-butan-2-yl)-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl 4-(1-benzoylpropyl)-6,8-dibromo-2-oxo-chromane-3-carboxylate CAS Name: 6,8-dibromo-2-oxo-4-(1-oxo-1-phenylbutan-2-yl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6,8-dibromo-2-oxo-4-(1-oxo-1-phenylbutan-2-yl)-3,4-dihydrochromene-3-carboxylate Traditional Name: 4-(1-benzoylpropyl)-6,8-dibromo-2-keto-chroman-3-carboxylic acid methyl ester Formula: C21H18Br2O5 MolecularWeight: 510.17262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(=O)OC2=C(C=C(C=C12)Br)Br)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1C(C(=O)OC2=C(C=C(C=C12)Br)Br)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18Br2O5/c1-3-13(18(24)11-7-5-4-6-8-11)16-14-9-12(22)10-15(23)19(14)28-21(26)17(16)20(25)27-2/h4-10,13,16-17H,3H2,1-2H3