methyl 3-chloranyl-5-(2-cyclopropylethynyl)benzoate

Systemtic Name: methyl 3-chloranyl-5-(2-cyclopropylethynyl)benzoate Openeye Name: methyl 3-chloro-5-(2-cyclopropylethynyl)benzoate CAS Name: 3-chloro-5-(2-cyclopropylethynyl)benzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-(2-cyclopropylethynyl)benzoate Traditional Name: 3-chloro-5-(2-cyclopropylethynyl)benzoic acid methyl ester Formula: C13H11ClO2 MolecularWeight: 234.67824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C#CC2CC2)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C#CC2CC2)Cl

InChI

InChI=1S/C13H11ClO2/c1-16-13(15)11-6-10(7-12(14)8-11)5-4-9-2-3-9/h6-9H,2-3H2,1H3