4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl ethanoate

Systemtic Name: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl ethanoate Openeye Name: [1-methyl-3-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)prop-2-ynyl] acetate CAS Name: acetic acid 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-3-yn-2-yl ester IUPAC Name: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl acetate Traditional Name: acetic acid [1-methyl-3-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)prop-2-ynyl] ester Formula: C15H20O2 MolecularWeight: 232.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC=C1)(C)C)C#CC(C)OC(=O)C

Isomeric SMILES

CC1=C(C(CC=C1)(C)C)C#CC(C)OC(=O)C

InChI

InChI=1S/C15H20O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h6-7,12H,10H2,1-5H3