methyl (E)-6,6-dimethylhept-2-en-4-ynoate

Systemtic Name: methyl (E)-6,6-dimethylhept-2-en-4-ynoate Openeye Name: methyl (E)-6,6-dimethylhept-2-en-4-ynoate CAS Name: (E)-6,6-dimethylhept-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-6,6-dimethylhept-2-en-4-ynoate Traditional Name: (E)-6,6-dimethylhept-2-en-4-ynoic acid methyl ester Formula: C10H14O2 MolecularWeight: 166.21696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O2/c1-10(2,3)8-6-5-7-9(11)12-4/h5,7H,1-4H3/b7-5+