[(E)-7,7-dimethyloct-3-en-5-yn-3-yl]benzene

Systemtic Name: [(E)-7,7-dimethyloct-3-en-5-yn-3-yl]benzene Openeye Name: [(E)-1-ethyl-5,5-dimethyl-hex-1-en-3-ynyl]benzene CAS Name: [(E)-7,7-dimethyloct-3-en-5-yn-3-yl]benzene IUPAC Name: [(E)-7,7-dimethyloct-3-en-5-yn-3-yl]benzene Traditional Name: [(E)-1-ethyl-5,5-dimethyl-hex-1-en-3-ynyl]benzene Formula: C16H20 MolecularWeight: 212.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC#CC(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

CC/C(=C\C#CC(C)(C)C)/C1=CC=CC=C1

InChI

InChI=1S/C16H20/c1-5-14(12-9-13-16(2,3)4)15-10-7-6-8-11-15/h6-8,10-12H,5H2,1-4H3/b14-12+