4-(4-bromanylbutoxy)-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4-(4-bromanylbutoxy)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4-(4-bromobutoxy)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4-(4-bromobutoxy)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4-(4-bromobutoxy)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4-(4-bromobutoxy)-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2OCCCCBr)C(=O)O

Isomeric SMILES

C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2OCCCCBr)C(=O)O

InChI

InChI=1S/C18H15BrN2O5/c19-7-1-2-8-26-14-9-13(18(24)25)21-16-11(14)5-3-10-4-6-12(17(22)23)20-15(10)16/h3-6,9H,1-2,7-8H2,(H,22,23)(H,24,25)