4-[2-(4-carboxyphenoxy)-4,5-dicyano-phenoxy]benzoic acid

Systemtic Name: 4-[2-(4-carboxyphenoxy)-4,5-dicyano-phenoxy]benzoic acid Openeye Name: 4-[2-(4-carboxyphenoxy)-4,5-dicyano-phenoxy]benzoic acid CAS Name: 4-[2-(4-carboxyphenoxy)-4,5-dicyanophenoxy]benzoic acid IUPAC Name: 4-[2-(4-carboxyphenoxy)-4,5-dicyanophenoxy]benzoic acid Traditional Name: 4-[2-(4-carboxyphenoxy)-4,5-dicyano-phenoxy]benzoic acid Formula: C22H12N2O6 MolecularWeight: 400.34048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H12N2O6/c23-11-15-9-19(29-17-5-1-13(2-6-17)21(25)26)20(10-16(15)12-24)30-18-7-3-14(4-8-18)22(27)28/h1-10H,(H,25,26)(H,27,28)