8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-quinoline-4-carboxylic acid CAS Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-4-quinolinecarboxylic acid IUPAC Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic acid Traditional Name: 8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxy-cinchoninic acid Formula: C23H14ClNO5 MolecularWeight: 419.81396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2C(=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(N=C2C(=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H14ClNO5/c24-15-10-8-13(9-11-15)19-21(26)18(23(29)30)17-3-1-2-16(20(17)25-19)12-4-6-14(7-5-12)22(27)28/h1-11,26H,(H,27,28)(H,29,30)