ethynyl 2,3-dimethylbenzoate

Systemtic Name: ethynyl 2,3-dimethylbenzoate Openeye Name: ethynyl 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid ethynyl ester IUPAC Name: ethynyl 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid ethynyl ester Formula: C11H10O2 MolecularWeight: 174.1959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OC#C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OC#C

InChI

InChI=1S/C11H10O2/c1-4-13-11(12)10-7-5-6-8(2)9(10)3/h1,5-7H,2-3H3