2-bromanyl-1,4,5-tris(oxidanyl)-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: 2-bromanyl-1,4,5-tris(oxidanyl)-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: 2-bromo-1,4,5-trihydroxy-3-oxo-cyclohexanecarboxylate CAS Name: 2-bromo-1,4,5-trihydroxy-3-oxo-1-cyclohexanecarboxylate IUPAC Name: 2-bromo-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylate Traditional Name: 2-bromo-1,4,5-trihydroxy-3-keto-cyclohexanecarboxylate Formula: C7H8BrO6- MolecularWeight: 268.03882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9BrO6/c8-5-4(11)3(10)2(9)1-7(5,14)6(12)13/h2-3,5,9-10,14H,1H2,(H,12,13)/p-1