ethyl (2S,3aR,7aS)-3-oxidanylidene-2-pent-2-ynyl-3a-prop-2-enyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylate

Systemtic Name: ethyl (2S,3aR,7aS)-3-oxidanylidene-2-pent-2-ynyl-3a-prop-2-enyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylate Openeye Name: ethyl (2S,3aR,7aS)-3a-allyl-3-oxo-2-pent-2-ynyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylate CAS Name: (2S,3aR,7aS)-3-oxo-2-pent-2-ynyl-3a-prop-2-enyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3aR,7aS)-3-oxo-2-pent-2-ynyl-3a-prop-2-enyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylate Traditional Name: (2S,3aR,7aS)-3a-allyl-3-keto-2-pent-2-ynyl-1,4,5,6,7,7a-hexahydroindene-2-carboxylic acid ethyl ester Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1(CC2CCCCC2(C1=O)CC=C)C(=O)OCC

Isomeric SMILES

CCC#CC[C@]1(C[C@@H]2CCCC[C@@]2(C1=O)CC=C)C(=O)OCC

InChI

InChI=1S/C20H28O3/c1-4-7-9-14-20(18(22)23-6-3)15-16-11-8-10-13-19(16,12-5-2)17(20)21/h5,16H,2,4,6,8,10-15H2,1,3H3/t16-,19-,20+/m0/s1