dipotassium 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylate

Systemtic Name: dipotassium 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylate Openeye Name: dipotassium 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylate CAS Name: dipotassium 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylate IUPAC Name: dipotassium 5-[4-(2-phenylethynyl)phenoxy]benzene-1,3-dicarboxylate Traditional Name: dipotassium 5-[4-(2-phenylethynyl)phenoxy]isophthalate Formula: C22H12K2O5 MolecularWeight: 434.52428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-].[K+].[K+]

InChI

InChI=1S/C22H14O5.2K/c23-21(24)17-12-18(22(25)26)14-20(13-17)27-19-10-8-16(9-11-19)7-6-15-4-2-1-3-5-15;;/h1-5,8-14H,(H,23,24)(H,25,26);;/q;2*+1/p-2