tetradecan-3-yl 2-bromanylocta-3,5,7-triynoate

Systemtic Name: tetradecan-3-yl 2-bromanylocta-3,5,7-triynoate Openeye Name: 1-ethyldodecyl 2-bromoocta-3,5,7-triynoate CAS Name: 2-bromoocta-3,5,7-triynoic acid tetradecan-3-yl ester IUPAC Name: tetradecan-3-yl 2-bromoocta-3,5,7-triynoate Traditional Name: 2-bromoocta-3,5,7-triynoic acid 1-ethyldodecyl ester Formula: C22H31BrO2 MolecularWeight: 407.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC)OC(=O)C(C#CC#CC#C)Br

Isomeric SMILES

CCCCCCCCCCCC(CC)OC(=O)C(C#CC#CC#C)Br

InChI

InChI=1S/C22H31BrO2/c1-4-7-9-11-12-13-14-15-16-18-20(6-3)25-22(24)21(23)19-17-10-8-5-2/h2,20-21H,4,6-7,9,11-16,18H2,1,3H3