[(9S)-pentacos-10-yn-9-yl] ethanoate

Systemtic Name: [(9S)-pentacos-10-yn-9-yl] ethanoate Openeye Name: [(1S)-1-octylheptadec-2-ynyl] acetate CAS Name: acetic acid [(9S)-pentacos-10-yn-9-yl] ester IUPAC Name: [(9S)-pentacos-10-yn-9-yl] acetate Traditional Name: acetic acid [(1S)-1-octylheptadec-2-ynyl] ester Formula: C27H50O2 MolecularWeight: 406.6847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CC(CCCCCCCC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC#C[C@H](CCCCCCCC)OC(=O)C

InChI

InChI=1S/C27H50O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h27H,4-22,24H2,1-3H3/t27-/m0/s1