[(2S)-4-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]but-3-yn-2-yl] ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(C[C@@H](C1)O)(C)C)C#C[C@H](C)OC(=O)C

InChI

InChI=1S/C15H22O3/c1-10-8-13(17)9-15(4,5)14(10)7-6-11(2)18-12(3)16/h11,13,17H,8-9H2,1-5H3/t11-,13+/m0/s1