3-[9-(3-carboxyphenyl)-1,10-phenanthrolin-2-yl]benzoic acid

Systemtic Name: 3-[9-(3-carboxyphenyl)-1,10-phenanthrolin-2-yl]benzoic acid Openeye Name: 3-[9-(3-carboxyphenyl)-1,10-phenanthrolin-2-yl]benzoic acid CAS Name: 3-[9-(3-carboxyphenyl)-1,10-phenanthrolin-2-yl]benzoic acid IUPAC Name: 3-[9-(3-carboxyphenyl)-1,10-phenanthrolin-2-yl]benzoic acid Traditional Name: 3-[9-(3-carboxyphenyl)-1,10-phenanthrolin-2-yl]benzoic acid Formula: C26H16N2O4 MolecularWeight: 420.41624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC(=CC=C5)C(=O)O)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC(=CC=C5)C(=O)O)C=C2

InChI

InChI=1S/C26H16N2O4/c29-25(30)19-5-1-3-17(13-19)21-11-9-15-7-8-16-10-12-22(28-24(16)23(15)27-21)18-4-2-6-20(14-18)26(31)32/h1-14H,(H,29,30)(H,31,32)