3-ethynyl-2-phenylmethoxy-benzoic acid

Systemtic Name: 3-ethynyl-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-3-ethynyl-benzoic acid CAS Name: 3-ethynyl-2-phenylmethoxybenzoic acid IUPAC Name: 3-ethynyl-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-3-ethynyl-benzoic acid Formula: C16H12O3 MolecularWeight: 252.26468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

C#CC1=C(C(=CC=C1)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H12O3/c1-2-13-9-6-10-14(16(17)18)15(13)19-11-12-7-4-3-5-8-12/h1,3-10H,11H2,(H,17,18)