2-[2-(3,4-dihydro-2H-chromen-2-yl)ethynyl]benzoic acid

Systemtic Name: 2-[2-(3,4-dihydro-2H-chromen-2-yl)ethynyl]benzoic acid Openeye Name: 2-(2-chroman-2-ylethynyl)benzoic acid CAS Name: 2-[2-(3,4-dihydro-2H-1-benzopyran-2-yl)ethynyl]benzoic acid IUPAC Name: 2-[2-(3,4-dihydro-2H-chromen-2-yl)ethynyl]benzoic acid Traditional Name: 2-(2-chroman-2-ylethynyl)benzoic acid Formula: C18H14O3 MolecularWeight: 278.30196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2OC1C#CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2OC1C#CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H14O3/c19-18(20)16-7-3-1-5-13(16)9-11-15-12-10-14-6-2-4-8-17(14)21-15/h1-8,15H,10,12H2,(H,19,20)