tert-butyl 2,6,6-trimethylpyran-3-carboxylate

Systemtic Name: tert-butyl 2,6,6-trimethylpyran-3-carboxylate Openeye Name: tert-butyl 2,6,6-trimethylpyran-3-carboxylate CAS Name: 2,6,6-trimethyl-3-pyrancarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,6,6-trimethylpyran-3-carboxylate Traditional Name: 2,6,6-trimethylpyran-3-carboxylic acid tert-butyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(O1)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(O1)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H20O3/c1-9-10(7-8-13(5,6)15-9)11(14)16-12(2,3)4/h7-8H,1-6H3