[(4R)-14-bromanyltetradeca-6,9,12-triyn-4-yl] benzoate

Systemtic Name: [(4R)-14-bromanyltetradeca-6,9,12-triyn-4-yl] benzoate Openeye Name: [(1R)-11-bromo-1-propyl-undeca-3,6,9-triynyl] benzoate CAS Name: benzoic acid [(4R)-14-bromotetradeca-6,9,12-triyn-4-yl] ester IUPAC Name: [(4R)-14-bromotetradeca-6,9,12-triyn-4-yl] benzoate Traditional Name: benzoic acid [(1R)-11-bromo-1-propyl-undeca-3,6,9-triynyl] ester Formula: C21H21BrO2 MolecularWeight: 385.29424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC#CCC#CCC#CCBr)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC[C@H](CC#CCC#CCC#CCBr)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H21BrO2/c1-2-14-20(24-21(23)19-15-10-9-11-16-19)17-12-7-5-3-4-6-8-13-18-22/h9-11,15-16,20H,2,5-6,14,17-18H2,1H3/t20-/m1/s1