ethyl (E)-7-(4-methylphenyl)hept-2-en-6-ynoate

Systemtic Name: ethyl (E)-7-(4-methylphenyl)hept-2-en-6-ynoate Openeye Name: ethyl (E)-7-(p-tolyl)hept-2-en-6-ynoate CAS Name: (E)-7-(4-methylphenyl)hept-2-en-6-ynoic acid ethyl ester IUPAC Name: ethyl (E)-7-(4-methylphenyl)hept-2-en-6-ynoate Traditional Name: (E)-7-(p-tolyl)hept-2-en-6-ynoic acid ethyl ester Formula: C16H18O2 MolecularWeight: 242.31292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCC#CC1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)/C=C/CCC#CC1=CC=C(C=C1)C

InChI

InChI=1S/C16H18O2/c1-3-18-16(17)9-7-5-4-6-8-15-12-10-14(2)11-13-15/h7,9-13H,3-5H2,1-2H3/b9-7+