2-[3,5-bis(4-carboxyquinolin-2-yl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[3,5-bis(4-carboxyquinolin-2-yl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[3,5-bis(4-carboxy-2-quinolyl)phenyl]quinoline-4-carboxylic acid CAS Name: 2-[3,5-bis(4-carboxy-2-quinolinyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[3,5-bis(4-carboxyquinolin-2-yl)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[3,5-bis(4-carboxy-2-quinolyl)phenyl]cinchoninic acid Formula: C36H21N3O6 MolecularWeight: 591.56844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC(=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=NC7=CC=CC=C7C(=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC(=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=NC7=CC=CC=C7C(=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C36H21N3O6/c40-34(41)25-16-31(37-28-10-4-1-7-22(25)28)19-13-20(32-17-26(35(42)43)23-8-2-5-11-29(23)38-32)15-21(14-19)33-18-27(36(44)45)24-9-3-6-12-30(24)39-33/h1-18H,(H,40,41)(H,42,43)(H,44,45)