3,4,5-triacetyloxy-6-bromanyl-2-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: 3,4,5-triacetyloxy-6-bromanyl-2-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: 3,4,5-triacetoxy-6-bromo-2-hydroxy-6-oxo-hexanoate CAS Name: 3,4,5-triacetyloxy-6-bromo-2-hydroxy-6-oxohexanoate IUPAC Name: 3,4,5-triacetyloxy-6-bromo-2-hydroxy-6-oxohexanoate Traditional Name: 3,4,5-triacetoxy-6-bromo-2-hydroxy-6-keto-hexanoate Formula: C12H14BrO10- MolecularWeight: 398.13756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C(C(=O)Br)OC(=O)C)OC(=O)C)C(C(=O)[O-])O

Isomeric SMILES

CC(=O)OC(C(C(C(=O)Br)OC(=O)C)OC(=O)C)C(C(=O)[O-])O

InChI

InChI=1S/C12H15BrO10/c1-4(14)21-8(7(17)12(19)20)9(22-5(2)15)10(11(13)18)23-6(3)16/h7-10,17H,1-3H3,(H,19,20)/p-1