[(E)-2-ethoxy-1,1,1-tris(fluoranyl)non-2-en-4-yn-3-yl]sulfanylbenzene

Systemtic Name: [(E)-2-ethoxy-1,1,1-tris(fluoranyl)non-2-en-4-yn-3-yl]sulfanylbenzene Openeye Name: [(1E)-1-(1-ethoxy-2,2,2-trifluoro-ethylidene)hept-2-ynyl]sulfanylbenzene CAS Name: [[(E)-2-ethoxy-1,1,1-trifluoronon-2-en-4-yn-3-yl]thio]benzene IUPAC Name: [(E)-2-ethoxy-1,1,1-trifluoronon-2-en-4-yn-3-yl]sulfanylbenzene Traditional Name: [[(1E)-1-(1-ethoxy-2,2,2-trifluoro-ethylidene)hept-2-ynyl]thio]benzene Formula: C17H19F3OS MolecularWeight: 328.39237

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=C(C(F)(F)F)OCC)SC1=CC=CC=C1

Isomeric SMILES

CCCCC#C/C(=C(/C(F)(F)F)\OCC)/SC1=CC=CC=C1

InChI

InChI=1S/C17H19F3OS/c1-3-5-6-10-13-15(16(21-4-2)17(18,19)20)22-14-11-8-7-9-12-14/h7-9,11-12H,3-6H2,1-2H3/b16-15+