4-[2-(3,4-dicarboxyphenyl)ethynyl]pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[2-(3,4-dicarboxyphenyl)ethynyl]pyridine-2,6-dicarboxylic acid Openeye Name: 4-[2-(3,4-dicarboxyphenyl)ethynyl]pyridine-2,6-dicarboxylic acid CAS Name: 4-[2-(3,4-dicarboxyphenyl)ethynyl]pyridine-2,6-dicarboxylic acid IUPAC Name: 4-[2-(3,4-dicarboxyphenyl)ethynyl]pyridine-2,6-dicarboxylic acid Traditional Name: 4-[2-(3,4-dicarboxyphenyl)ethynyl]dipicolinic acid Formula: C17H9NO8 MolecularWeight: 355.25526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#CC2=CC(=NC(=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#CC2=CC(=NC(=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H9NO8/c19-14(20)10-4-3-8(5-11(10)15(21)22)1-2-9-6-12(16(23)24)18-13(7-9)17(25)26/h3-7H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)