4-[3-(4-carboxyphenyl)-5-ethynyl-phenyl]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)-5-ethynyl-phenyl]benzoic acid Openeye Name: 4-[3-(4-carboxyphenyl)-5-ethynyl-phenyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-5-ethynylphenyl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-5-ethynylphenyl]benzoic acid Traditional Name: 4-[3-(4-carboxyphenyl)-5-ethynyl-phenyl]benzoic acid Formula: C22H14O4 MolecularWeight: 342.34416

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H14O4/c1-2-14-11-19(15-3-7-17(8-4-15)21(23)24)13-20(12-14)16-5-9-18(10-6-16)22(25)26/h1,3-13H,(H,23,24)(H,25,26)