dipotassium 5-(2-phenylethynyl)benzene-1,3-dicarboxylate

Systemtic Name: dipotassium 5-(2-phenylethynyl)benzene-1,3-dicarboxylate Openeye Name: dipotassium 5-(2-phenylethynyl)benzene-1,3-dicarboxylate CAS Name: dipotassium 5-(2-phenylethynyl)benzene-1,3-dicarboxylate IUPAC Name: dipotassium 5-(2-phenylethynyl)benzene-1,3-dicarboxylate Traditional Name: dipotassium 5-(2-phenylethynyl)isophthalate Formula: C16H8K2O4 MolecularWeight: 342.42892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10O4.2K/c17-15(18)13-8-12(9-14(10-13)16(19)20)7-6-11-4-2-1-3-5-11;;/h1-5,8-10H,(H,17,18)(H,19,20);;/q;2*+1/p-2