[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] benzoate bromide

Systemtic Name: [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] benzoate bromide Openeye Name: (1-formyl-2,3,4,5-tetrahydroxy-pentyl) benzoate bromide CAS Name: benzoic acid (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) ester bromide IUPAC Name: (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) benzoate bromide Traditional Name: benzoic acid (1-formyl-2,3,4,5-tetrahydroxy-pentyl) ester bromide Formula: C13H16BrO7- MolecularWeight: 364.16594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C=O)C(C(C(CO)O)O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C=O)C(C(C(CO)O)O)O.[Br-]

InChI

InChI=1S/C13H16O7.BrH/c14-6-9(16)11(17)12(18)10(7-15)20-13(19)8-4-2-1-3-5-8;/h1-5,7,9-12,14,16-18H,6H2;1H/p-1