1-(1-oxidanylcyclododecyl)oct-1-yn-3-yl ethanoate

Systemtic Name: 1-(1-oxidanylcyclododecyl)oct-1-yn-3-yl ethanoate Openeye Name: 1-[2-(1-hydroxycyclododecyl)ethynyl]hexyl acetate CAS Name: acetic acid 1-(1-hydroxycyclododecyl)oct-1-yn-3-yl ester IUPAC Name: 1-(1-hydroxycyclododecyl)oct-1-yn-3-yl acetate Traditional Name: acetic acid [1-amyl-3-(1-hydroxycyclododecyl)prop-2-ynyl] ester Formula: C22H38O3 MolecularWeight: 350.53532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1(CCCCCCCCCCC1)O)OC(=O)C

Isomeric SMILES

CCCCCC(C#CC1(CCCCCCCCCCC1)O)OC(=O)C

InChI

InChI=1S/C22H38O3/c1-3-4-12-15-21(25-20(2)23)16-19-22(24)17-13-10-8-6-5-7-9-11-14-18-22/h21,24H,3-15,17-18H2,1-2H3