methyl (E)-7-[2-(5-oxidanylidenepenta-1,2-dien-3-yl)phenyl]hept-2-en-6-ynoate

Systemtic Name: methyl (E)-7-[2-(5-oxidanylidenepenta-1,2-dien-3-yl)phenyl]hept-2-en-6-ynoate Openeye Name: methyl (E)-7-[2-[1-(2-oxoethyl)propa-1,2-dienyl]phenyl]hept-2-en-6-ynoate CAS Name: (E)-7-[2-(5-oxopenta-1,2-dien-3-yl)phenyl]hept-2-en-6-ynoic acid methyl ester IUPAC Name: methyl (E)-7-[2-(5-oxopenta-1,2-dien-3-yl)phenyl]hept-2-en-6-ynoate Traditional Name: (E)-7-[2-[1-(2-ketoethyl)propa-1,2-dienyl]phenyl]hept-2-en-6-ynoic acid methyl ester Formula: C19H18O3 MolecularWeight: 294.34442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCC#CC1=CC=CC=C1C(=C=C)CC=O

Isomeric SMILES

COC(=O)/C=C/CCC#CC1=CC=CC=C1C(=C=C)CC=O

InChI

InChI=1S/C19H18O3/c1-3-16(14-15-20)18-12-9-8-11-17(18)10-6-4-5-7-13-19(21)22-2/h7-9,11-13,15H,1,4-5,14H2,2H3/b13-7+