tert-butyl 4-ethynylbenzoate

Systemtic Name: tert-butyl 4-ethynylbenzoate Openeye Name: tert-butyl 4-ethynylbenzoate CAS Name: 4-ethynylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethynylbenzoate Traditional Name: 4-ethynylbenzoic acid tert-butyl ester Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2/c1-5-10-6-8-11(9-7-10)12(14)15-13(2,3)4/h1,6-9H,2-4H3