4-chloranyl-2-ethynyl-benzoic acid

Systemtic Name: 4-chloranyl-2-ethynyl-benzoic acid Openeye Name: 4-chloro-2-ethynyl-benzoic acid CAS Name: 4-chloro-2-ethynylbenzoic acid IUPAC Name: 4-chloro-2-ethynylbenzoic acid Traditional Name: 4-chloro-2-ethynyl-benzoic acid Formula: C9H5ClO2 MolecularWeight: 180.5878

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)Cl)C(=O)O

Isomeric SMILES

C#CC1=C(C=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C9H5ClO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h1,3-5H,(H,11,12)