ethyl (2S,5R)-5-tert-butyl-2,5-dimethyl-furan-2-carboxylate

Systemtic Name: ethyl (2S,5R)-5-tert-butyl-2,5-dimethyl-furan-2-carboxylate Openeye Name: ethyl (2S,5R)-5-tert-butyl-2,5-dimethyl-furan-2-carboxylate CAS Name: (2S,5R)-5-tert-butyl-2,5-dimethyl-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-5-tert-butyl-2,5-dimethylfuran-2-carboxylate Traditional Name: (2S,5R)-5-tert-butyl-2,5-dimethyl-furan-2-carboxylic acid ethyl ester Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=CC(O1)(C)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)[C@@]1(C=C[C@](O1)(C)C(C)(C)C)C

InChI

InChI=1S/C13H22O3/c1-7-15-10(14)12(5)8-9-13(6,16-12)11(2,3)4/h8-9H,7H2,1-6H3/t12-,13+/m0/s1