5-ethynyl-2-[2-(4-iodophenyl)ethynyl]benzoate

Systemtic Name: 5-ethynyl-2-[2-(4-iodophenyl)ethynyl]benzoate Openeye Name: 5-ethynyl-2-[2-(4-iodophenyl)ethynyl]benzoate CAS Name: 5-ethynyl-2-[2-(4-iodophenyl)ethynyl]benzoate IUPAC Name: 5-ethynyl-2-[2-(4-iodophenyl)ethynyl]benzoate Traditional Name: 5-ethynyl-2-[2-(4-iodophenyl)ethynyl]benzoate Formula: C17H8IO2- MolecularWeight: 371.14869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)C#CC2=CC=C(C=C2)I)C(=O)[O-]

Isomeric SMILES

C#CC1=CC(=C(C=C1)C#CC2=CC=C(C=C2)I)C(=O)[O-]

InChI

InChI=1S/C17H9IO2/c1-2-12-3-7-14(16(11-12)17(19)20)8-4-13-5-9-15(18)10-6-13/h1,3,5-7,9-11H,(H,19,20)/p-1