tert-butyl 5,6-dimethyl-4-oxidanylidene-hept-5-en-2-ynoate

Systemtic Name: tert-butyl 5,6-dimethyl-4-oxidanylidene-hept-5-en-2-ynoate Openeye Name: tert-butyl 5,6-dimethyl-4-oxo-hept-5-en-2-ynoate CAS Name: 5,6-dimethyl-4-oxohept-5-en-2-ynoic acid tert-butyl ester IUPAC Name: tert-butyl 5,6-dimethyl-4-oxohept-5-en-2-ynoate Traditional Name: 4-keto-5,6-dimethyl-hept-5-en-2-ynoic acid tert-butyl ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-9(2)10(3)11(14)7-8-12(15)16-13(4,5)6/h1-6H3