4-ethynylbenzoate

Systemtic Name: 4-ethynylbenzoate Openeye Name: 4-ethynylbenzoate CAS Name: 4-ethynylbenzoate IUPAC Name: 4-ethynylbenzoate Traditional Name: 4-ethynylbenzoate Formula: C9H5O2- MolecularWeight: 145.1348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)/p-1