1,1,1-tris(fluoranyl)-5-(3-pentadecylphenoxy)pent-3-yn-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-5-(3-pentadecylphenoxy)pent-3-yn-2-one Openeye Name: 1,1,1-trifluoro-5-(3-pentadecylphenoxy)pent-3-yn-2-one CAS Name: 1,1,1-trifluoro-5-(3-pentadecylphenoxy)-3-pentyn-2-one IUPAC Name: 1,1,1-trifluoro-5-(3-pentadecylphenoxy)pent-3-yn-2-one Traditional Name: 1,1,1-trifluoro-5-(3-pentadecylphenoxy)pent-3-yn-2-one Formula: C26H37F3O2 MolecularWeight: 438.56599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC#CC(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC#CC(=O)C(F)(F)F

InChI

InChI=1S/C26H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-18-15-19-24(22-23)31-21-16-20-25(30)26(27,28)29/h15,18-19,22H,2-14,17,21H2,1H3