methyl (E)-2-bromanyl-5-phenyl-pent-2-en-4-ynoate

Systemtic Name: methyl (E)-2-bromanyl-5-phenyl-pent-2-en-4-ynoate Openeye Name: methyl (E)-2-bromo-5-phenyl-pent-2-en-4-ynoate CAS Name: (E)-2-bromo-5-phenylpent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-2-bromo-5-phenylpent-2-en-4-ynoate Traditional Name: (E)-2-bromo-5-phenyl-pent-2-en-4-ynoic acid methyl ester Formula: C12H9BrO2 MolecularWeight: 265.10266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC#CC1=CC=CC=C1)Br

Isomeric SMILES

COC(=O)/C(=C\C#CC1=CC=CC=C1)/Br

InChI

InChI=1S/C12H9BrO2/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h2-4,6-7,9H,1H3/b11-9+