2,4,6-tris(bromanyl)-5-(2,3-diacetyloxypropylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4,6-tris(bromanyl)-5-(2,3-diacetyloxypropylamino)benzene-1,3-dicarboxylic acid Openeye Name: 2,4,6-tribromo-5-(2,3-diacetoxypropylamino)benzene-1,3-dicarboxylic acid CAS Name: 2,4,6-tribromo-5-(2,3-diacetyloxypropylamino)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4,6-tribromo-5-(2,3-diacetyloxypropylamino)benzene-1,3-dicarboxylic acid Traditional Name: 2,4,6-tribromo-5-(2,3-diacetoxypropylamino)isophthalic acid Formula: C15H14Br3NO8 MolecularWeight: 575.98556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CNC1=C(C(=C(C(=C1Br)C(=O)O)Br)C(=O)O)Br)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CNC1=C(C(=C(C(=C1Br)C(=O)O)Br)C(=O)O)Br)OC(=O)C

InChI

InChI=1S/C15H14Br3NO8/c1-5(20)26-4-7(27-6(2)21)3-19-13-11(17)8(14(22)23)10(16)9(12(13)18)15(24)25/h7,19H,3-4H2,1-2H3,(H,22,23)(H,24,25)