2-phenylethynylbenzene benzoate

Systemtic Name: 2-phenylethynylbenzene benzoate Openeye Name: 2-phenylethynylbenzene benzoate CAS Name: 2-phenylethynylbenzene benzoate IUPAC Name: 2-phenylethynylbenzene benzoate Traditional Name: 2-phenylethynylbenzene benzoate Formula: C21H15O2- MolecularWeight: 299.3426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10.C7H6O2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;8-7(9)6-4-2-1-3-5-6/h1-10H;1-5H,(H,8,9)/p-1