ethyl (1S,4S,5S)-7,7-dipropoxybicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: ethyl (1S,4S,5S)-7,7-dipropoxybicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: ethyl (1S,4S,5S)-7,7-dipropoxybicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: (1S,4S,5S)-7,7-dipropoxy-5-bicyclo[2.2.1]hept-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,4S,5S)-7,7-dipropoxybicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: (1S,4S,5S)-7,7-dipropoxybicyclo[2.2.1]hept-2-ene-5-carboxylic acid ethyl ester Formula: C16H26O4 MolecularWeight: 282.37524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2CC(C1C=C2)C(=O)OCC)OCCC

Isomeric SMILES

CCCOC1([C@H]2C[C@@H]([C@@H]1C=C2)C(=O)OCC)OCCC

InChI

InChI=1S/C16H26O4/c1-4-9-19-16(20-10-5-2)12-7-8-14(16)13(11-12)15(17)18-6-3/h7-8,12-14H,4-6,9-11H2,1-3H3/t12-,13+,14+/m1/s1