3-[2-(3-carboxyphenyl)ethynyl]benzoic acid

Systemtic Name: 3-[2-(3-carboxyphenyl)ethynyl]benzoic acid Openeye Name: 3-[2-(3-carboxyphenyl)ethynyl]benzoic acid CAS Name: 3-[2-(3-carboxyphenyl)ethynyl]benzoic acid IUPAC Name: 3-[2-(3-carboxyphenyl)ethynyl]benzoic acid Traditional Name: 3-[2-(3-carboxyphenyl)ethynyl]benzoic acid Formula: C16H10O4 MolecularWeight: 266.2482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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