4-[2-(4-carboxyphenyl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4-carboxyphenyl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-carboxyphenyl)ethynyl]benzoic acid CAS Name: 4-[2-(4-carboxyphenyl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4-carboxyphenyl)ethynyl]benzoic acid Traditional Name: 4-[2-(4-carboxyphenyl)ethynyl]benzoic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,(H,17,18)(H,19,20)