bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethynyl-2-phenylmethoxy-benzoic acid

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethynyl-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-3-ethynyl-benzoic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethynyl-2-phenylmethoxybenzoic acid IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethynyl-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-3-ethynyl-benzoic acid; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C22H16O3 MolecularWeight: 328.36064

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)C(=O)O)OCC2=CC=CC=C2.C1=CC2=C1C=C2

Isomeric SMILES

C#CC1=C(C(=CC=C1)C(=O)O)OCC2=CC=CC=C2.C1=CC2=C1C=C2

InChI

InChI=1S/C16H12O3.C6H4/c1-2-13-9-6-10-14(16(17)18)15(13)19-11-12-7-4-3-5-8-12;1-2-6-4-3-5(1)6/h1,3-10H,11H2,(H,17,18);1-4H