[(E)-3,6-dimethyloct-4-en-1-yn-3-yl] ethanoate

Systemtic Name: [(E)-3,6-dimethyloct-4-en-1-yn-3-yl] ethanoate Openeye Name: [(E)-1-ethynyl-1,4-dimethyl-hex-2-enyl] acetate CAS Name: acetic acid [(E)-3,6-dimethyloct-4-en-1-yn-3-yl] ester IUPAC Name: [(E)-3,6-dimethyloct-4-en-1-yn-3-yl] acetate Traditional Name: acetic acid [(E)-1-ethynyl-1,4-dimethyl-hex-2-enyl] ester Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2/c1-6-10(3)8-9-12(5,7-2)14-11(4)13/h2,8-10H,6H2,1,3-5H3/b9-8+