2-(3,3-dimethylbut-1-ynyl)-3,6,6-trimethyl-hept-4-ynoate

Systemtic Name: 2-(3,3-dimethylbut-1-ynyl)-3,6,6-trimethyl-hept-4-ynoate Openeye Name: 2-(3,3-dimethylbut-1-ynyl)-3,6,6-trimethyl-hept-4-ynoate CAS Name: 2-(3,3-dimethylbut-1-ynyl)-3,6,6-trimethyl-4-heptynoate IUPAC Name: 2-(3,3-dimethylbut-1-ynyl)-3,6,6-trimethylhept-4-ynoate Traditional Name: 2-(3,3-dimethylbut-1-ynyl)-3,6,6-trimethyl-hept-4-ynoate Formula: C16H23O2- MolecularWeight: 247.35262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(C)(C)C)C(C#CC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC(C#CC(C)(C)C)C(C#CC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C16H24O2/c1-12(8-10-15(2,3)4)13(14(17)18)9-11-16(5,6)7/h12-13H,1-7H3,(H,17,18)/p-1