[(E,3S)-icos-4-en-1-yn-3-yl] ethanoate

Systemtic Name: [(E,3S)-icos-4-en-1-yn-3-yl] ethanoate Openeye Name: [(E,1S)-1-ethynyloctadec-2-enyl] acetate CAS Name: acetic acid [(E,3S)-eicos-4-en-1-yn-3-yl] ester IUPAC Name: [(E,3S)-icos-4-en-1-yn-3-yl] acetate Traditional Name: acetic acid [(E,1S)-1-ethynyloctadec-2-enyl] ester Formula: C22H38O2 MolecularWeight: 334.53592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(C#C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(5-2)24-21(3)23/h2,19-20,22H,4,6-18H2,1,3H3/b20-19+/t22-/m1/s1