2,5-bis[(4-carboxyphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid

Systemtic Name: 2,5-bis[(4-carboxyphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Openeye Name: 2,5-bis(4-carboxyanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid CAS Name: 2,5-bis(4-carboxyanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid IUPAC Name: 2,5-bis(4-carboxyanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Traditional Name: 2,5-bis(4-carboxyanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Formula: C22H18N2O8 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CC(=C1NC2=CC=C(C=C2)C(=O)O)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(=C(CC(=C1NC2=CC=C(C=C2)C(=O)O)C(=O)O)NC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H18N2O8/c25-19(26)11-1-5-13(6-2-11)23-17-9-16(22(31)32)18(10-15(17)21(29)30)24-14-7-3-12(4-8-14)20(27)28/h1-8,23-24H,9-10H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)