methyl 7-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)hept-2-ynoate

Systemtic Name: methyl 7-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)hept-2-ynoate Openeye Name: methyl 7-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)hept-2-ynoate CAS Name: 7-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-heptynoic acid methyl ester IUPAC Name: methyl 7-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)hept-2-ynoate Traditional Name: 7-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)hept-2-ynoic acid methyl ester Formula: C16H24O5 MolecularWeight: 296.35876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC12COC(OC1)(OC2)CCCCC#CC(=O)OC

Isomeric SMILES

CCCC12COC(OC1)(OC2)CCCCC#CC(=O)OC

InChI

InChI=1S/C16H24O5/c1-3-9-15-11-19-16(20-12-15,21-13-15)10-7-5-4-6-8-14(17)18-2/h3-5,7,9-13H2,1-2H3