[(6S)-undec-2-yn-6-yl] undec-9-ynoate

Systemtic Name: [(6S)-undec-2-yn-6-yl] undec-9-ynoate Openeye Name: [(1S)-1-pentylhex-4-ynyl] undec-9-ynoate CAS Name: 9-undecynoic acid [(6S)-undec-2-yn-6-yl] ester IUPAC Name: [(6S)-undec-2-yn-6-yl] undec-9-ynoate Traditional Name: undec-9-ynoic acid [(1S)-1-amylhex-4-ynyl] ester Formula: C22H36O2 MolecularWeight: 332.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC#CC)OC(=O)CCCCCCCC#CC

Isomeric SMILES

CCCCC[C@@H](CCC#CC)OC(=O)CCCCCCCC#CC

InChI

InChI=1S/C22H36O2/c1-4-7-10-11-12-13-14-17-20-22(23)24-21(18-15-8-5-2)19-16-9-6-3/h21H,5,8,10-20H2,1-3H3/t21-/m0/s1