methyl (E)-2,2,5-trimethylnon-4-en-8-ynoate

Systemtic Name: methyl (E)-2,2,5-trimethylnon-4-en-8-ynoate Openeye Name: methyl (E)-2,2,5-trimethylnon-4-en-8-ynoate CAS Name: (E)-2,2,5-trimethylnon-4-en-8-ynoic acid methyl ester IUPAC Name: methyl (E)-2,2,5-trimethylnon-4-en-8-ynoate Traditional Name: (E)-2,2,5-trimethylnon-4-en-8-ynoic acid methyl ester Formula: C13H20O2 MolecularWeight: 208.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O2/c1-6-7-8-11(2)9-10-13(3,4)12(14)15-5/h1,9H,7-8,10H2,2-5H3/b11-9+