4-(2,6,6-trimethyl-1-oxidanyl-cyclohex-2-en-1-yl)but-3-yn-2-yl ethanoate

Systemtic Name: 4-(2,6,6-trimethyl-1-oxidanyl-cyclohex-2-en-1-yl)but-3-yn-2-yl ethanoate Openeye Name: [3-(1-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-1-methyl-prop-2-ynyl] acetate CAS Name: acetic acid 4-(1-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-yn-2-yl ester IUPAC Name: 4-(1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-yn-2-yl acetate Traditional Name: acetic acid [3-(1-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-1-methyl-prop-2-ynyl] ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-11-7-6-9-14(4,5)15(11,17)10-8-12(2)18-13(3)16/h7,12,17H,6,9H2,1-5H3