14-bromanyltetradeca-6,9,12-triyn-3-yl benzoate

Systemtic Name: 14-bromanyltetradeca-6,9,12-triyn-3-yl benzoate Openeye Name: (12-bromo-1-ethyl-dodeca-4,7,10-triynyl) benzoate CAS Name: benzoic acid 14-bromotetradeca-6,9,12-triyn-3-yl ester IUPAC Name: 14-bromotetradeca-6,9,12-triyn-3-yl benzoate Traditional Name: benzoic acid (12-bromo-1-ethyl-dodeca-4,7,10-triynyl) ester Formula: C21H21BrO2 MolecularWeight: 385.29424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO2/c1-2-20(24-21(23)19-15-11-10-12-16-19)17-13-8-6-4-3-5-7-9-14-18-22/h10-12,15-16,20H,2,4,7,13,17-18H2,1H3