[(3R,4S,5R,6R)-6-bromanyl-4,5-bis(4-oxidanylidenepentanoyloxy)oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(3R,4S,5R,6R)-6-bromanyl-4,5-bis(4-oxidanylidenepentanoyloxy)oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(3R,4S,5R,6R)-6-bromo-4,5-bis(4-oxopentanoyloxy)tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(3R,4S,5R,6R)-6-bromo-4,5-bis(1,4-dioxopentoxy)-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6R)-6-bromo-4,5-bis(4-oxopentanoyloxy)oxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(3R,4S,5R,6R)-6-bromo-4,5-bis(4-ketopentanoyloxy)tetrahydropyran-3-yl] ester Formula: C20H27BrO10 MolecularWeight: 507.32638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1COC(C(C1OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)Br

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)Br

InChI

InChI=1S/C20H27BrO10/c1-11(22)4-7-15(25)29-14-10-28-20(21)19(31-17(27)9-6-13(3)24)18(14)30-16(26)8-5-12(2)23/h14,18-20H,4-10H2,1-3H3/t14-,18+,19-,20+/m1/s1