2,4,6-tris(bromanyl)-3-(2,2-diacetyloxyethanoylamino)benzoic acid

Systemtic Name: 2,4,6-tris(bromanyl)-3-(2,2-diacetyloxyethanoylamino)benzoic acid Openeye Name: 2,4,6-tribromo-3-[(2,2-diacetoxyacetyl)amino]benzoic acid CAS Name: 2,4,6-tribromo-3-[(2,2-diacetyloxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 2,4,6-tribromo-3-[(2,2-diacetyloxyacetyl)amino]benzoic acid Traditional Name: 2,4,6-tribromo-3-[(2,2-diacetoxyacetyl)amino]benzoic acid Formula: C13H10Br3NO7 MolecularWeight: 531.933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)NC1=C(C=C(C(=C1Br)C(=O)O)Br)Br)OC(=O)C

Isomeric SMILES

CC(=O)OC(C(=O)NC1=C(C=C(C(=C1Br)C(=O)O)Br)Br)OC(=O)C

InChI

InChI=1S/C13H10Br3NO7/c1-4(18)23-13(24-5(2)19)11(20)17-10-7(15)3-6(14)8(9(10)16)12(21)22/h3,13H,1-2H3,(H,17,20)(H,21,22)