3-azido-2,4-diethanoyl-2,4,5,6-tetrakis(oxidanyl)-7-oxidanylidene-octanoyl bromide

Systemtic Name: 3-azido-2,4-diethanoyl-2,4,5,6-tetrakis(oxidanyl)-7-oxidanylidene-octanoyl bromide Openeye Name: 2,4-diacetyl-3-azido-2,4,5,6-tetrahydroxy-7-oxo-octanoyl bromide CAS Name: 2,4-diacetyl-3-azido-2,4,5,6-tetrahydroxy-7-oxooctanoyl bromide IUPAC Name: 2,4-diacetyl-3-azido-2,4,5,6-tetrahydroxy-7-oxooctanoyl bromide Traditional Name: 2,4-diacetyl-3-azido-2,4,5,6-tetrahydroxy-7-keto-caprylyl bromide Formula: C12H16BrN3O8 MolecularWeight: 410.17474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C(C(C(C(=O)C)(C(=O)Br)O)N=[N+]=[N-])(C(=O)C)O)O)O

Isomeric SMILES

CC(=O)C(C(C(C(C(C(=O)C)(C(=O)Br)O)N=[N+]=[N-])(C(=O)C)O)O)O

InChI

InChI=1S/C12H16BrN3O8/c1-4(17)7(20)8(21)11(23,5(2)18)9(15-16-14)12(24,6(3)19)10(13)22/h7-9,20-21,23-24H,1-3H3