(1S,2R,4S)-2-but-2-ynyl-4-methoxy-2-methyl-bicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1S,2R,4S)-2-but-2-ynyl-4-methoxy-2-methyl-bicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1S,2R,4S)-2-but-2-ynyl-4-methoxy-2-methyl-bicyclo[2.2.2]oct-5-en-3-one CAS Name: (1S,2R,4S)-2-but-2-ynyl-4-methoxy-2-methyl-3-bicyclo[2.2.2]oct-5-enone IUPAC Name: (1S,2R,4S)-2-but-2-ynyl-4-methoxy-2-methylbicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1S,2R,4S)-2-but-2-ynyl-4-methoxy-2-methyl-bicyclo[2.2.2]oct-5-en-3-one Formula: C14H18O2 MolecularWeight: 218.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1(C2CCC(C1=O)(C=C2)OC)C

Isomeric SMILES

CC#CC[C@@]1([C@H]2CC[C@@](C1=O)(C=C2)OC)C

InChI

InChI=1S/C14H18O2/c1-4-5-8-13(2)11-6-9-14(16-3,10-7-11)12(13)15/h6,9,11H,7-8,10H2,1-3H3/t11-,13-,14-/m1/s1