ethyl 2-[[3,6-bis(bromanyl)-4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[3,6-bis(bromanyl)-4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3,6-dibromo-4-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)methyl]-3-oxo-butanoate CAS Name: 2-[(3,6-dibromo-4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,6-dibromo-4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)methyl]-3-oxobutanoate Traditional Name: 2-[(3,6-dibromo-4-hydroxy-5-keto-cyclohepta-1,3,6-trien-1-yl)methyl]-3-keto-butyric acid ethyl ester Formula: C14H14Br2O5 MolecularWeight: 422.06596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=O)C(=C1)Br)O)Br)C(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=O)C(=C1)Br)O)Br)C(=O)C

InChI

InChI=1S/C14H14Br2O5/c1-3-21-14(20)9(7(2)17)4-8-5-10(15)12(18)13(19)11(16)6-8/h5-6,9H,3-4H2,1-2H3,(H,18,19)