[3-methyl-3-oxidanyl-5-(2,4,5-trimethylphenyl)pent-4-yn-2-yl] ethanoate

Systemtic Name: [3-methyl-3-oxidanyl-5-(2,4,5-trimethylphenyl)pent-4-yn-2-yl] ethanoate Openeye Name: [2-hydroxy-1,2-dimethyl-4-(2,4,5-trimethylphenyl)but-3-ynyl] acetate CAS Name: acetic acid [3-hydroxy-3-methyl-5-(2,4,5-trimethylphenyl)pent-4-yn-2-yl] ester IUPAC Name: [3-hydroxy-3-methyl-5-(2,4,5-trimethylphenyl)pent-4-yn-2-yl] acetate Traditional Name: acetic acid [2-hydroxy-1,2-dimethyl-4-(2,4,5-trimethylphenyl)but-3-ynyl] ester Formula: C17H22O3 MolecularWeight: 274.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CC(C)(C(C)OC(=O)C)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#CC(C)(C(C)OC(=O)C)O)C)C

InChI

InChI=1S/C17H22O3/c1-11-9-13(3)16(10-12(11)2)7-8-17(6,19)14(4)20-15(5)18/h9-10,14,19H,1-6H3