2-methylbut-3-yn-2-yl 4-chloranylbenzoate

Systemtic Name: 2-methylbut-3-yn-2-yl 4-chloranylbenzoate Openeye Name: 1,1-dimethylprop-2-ynyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-methylbut-3-yn-2-yl ester IUPAC Name: 2-methylbut-3-yn-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1,1-dimethylprop-2-ynyl ester Formula: C12H11ClO2 MolecularWeight: 222.66754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClO2/c1-4-12(2,3)15-11(14)9-5-7-10(13)8-6-9/h1,5-8H,2-3H3