methyl (E)-7-[3-(2-oxidanylidenepropyl)-2-bicyclo[2.2.1]hept-5-enyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-(2-oxidanylidenepropyl)-2-bicyclo[2.2.1]hept-5-enyl]hept-5-enoate Openeye Name: methyl (E)-7-(3-acetonyl-2-bicyclo[2.2.1]hept-5-enyl)hept-5-enoate CAS Name: (E)-7-[3-(2-oxopropyl)-2-bicyclo[2.2.1]hept-5-enyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-(2-oxopropyl)-2-bicyclo[2.2.1]hept-5-enyl]hept-5-enoate Traditional Name: (E)-7-(3-acetonyl-2-bicyclo[2.2.1]hept-5-enyl)hept-5-enoic acid methyl ester Formula: C18H26O3 MolecularWeight: 290.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2CC(C1CC=CCCCC(=O)OC)C=C2

Isomeric SMILES

CC(=O)CC1C2CC(C1C/C=C/CCCC(=O)OC)C=C2

InChI

InChI=1S/C18H26O3/c1-13(19)11-17-15-10-9-14(12-15)16(17)7-5-3-4-6-8-18(20)21-2/h3,5,9-10,14-17H,4,6-8,11-12H2,1-2H3/b5-3+