(2-ethynyl-4,5,5-trimethyl-cyclohexa-1,3-dien-1-yl) ethanoate

Systemtic Name: (2-ethynyl-4,5,5-trimethyl-cyclohexa-1,3-dien-1-yl) ethanoate Openeye Name: (2-ethynyl-4,5,5-trimethyl-cyclohexa-1,3-dien-1-yl) acetate CAS Name: acetic acid (2-ethynyl-4,5,5-trimethyl-1-cyclohexa-1,3-dienyl) ester IUPAC Name: (2-ethynyl-4,5,5-trimethylcyclohexa-1,3-dien-1-yl) acetate Traditional Name: acetic acid (2-ethynyl-4,5,5-trimethyl-cyclohexa-1,3-dien-1-yl) ester Formula: C13H16O2 MolecularWeight: 204.26494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(CC1(C)C)OC(=O)C)C#C

Isomeric SMILES

CC1=CC(=C(CC1(C)C)OC(=O)C)C#C

InChI

InChI=1S/C13H16O2/c1-6-11-7-9(2)13(4,5)8-12(11)15-10(3)14/h1,7H,8H2,2-5H3