(4S,5R)-2-bromanyl-4,5-bis(oxidanyl)-3-oxidanylidene-cyclohexene-1-carboxylate

Systemtic Name: (4S,5R)-2-bromanyl-4,5-bis(oxidanyl)-3-oxidanylidene-cyclohexene-1-carboxylate Openeye Name: (4S,5R)-2-bromo-4,5-dihydroxy-3-oxo-cyclohexene-1-carboxylate CAS Name: (4S,5R)-2-bromo-4,5-dihydroxy-3-oxo-1-cyclohexenecarboxylate IUPAC Name: (4S,5R)-2-bromo-4,5-dihydroxy-3-oxocyclohexene-1-carboxylate Traditional Name: (4S,5R)-2-bromo-4,5-dihydroxy-3-keto-cyclohexene-1-carboxylate Formula: C7H6BrO5- MolecularWeight: 250.02354

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C(=C1C(=O)[O-])Br)O)O

Isomeric SMILES

C1[C@H]([C@@H](C(=O)C(=C1C(=O)[O-])Br)O)O

InChI

InChI=1S/C7H7BrO5/c8-4-2(7(12)13)1-3(9)5(10)6(4)11/h3,5,9-10H,1H2,(H,12,13)/p-1/t3-,5+/m1/s1