(1-bromanyl-4-phenyl-but-3-ynyl) ethanoate

Systemtic Name: (1-bromanyl-4-phenyl-but-3-ynyl) ethanoate Openeye Name: (1-bromo-4-phenyl-but-3-ynyl) acetate CAS Name: acetic acid (1-bromo-4-phenylbut-3-ynyl) ester IUPAC Name: (1-bromo-4-phenylbut-3-ynyl) acetate Traditional Name: acetic acid (1-bromo-4-phenyl-but-3-ynyl) ester Formula: C12H11BrO2 MolecularWeight: 267.11854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC#CC1=CC=CC=C1)Br

Isomeric SMILES

CC(=O)OC(CC#CC1=CC=CC=C1)Br

InChI

InChI=1S/C12H11BrO2/c1-10(14)15-12(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,9H2,1H3