[(3S,4R)-4-methylhex-5-en-1-yn-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(3S,4R)-4-methylhex-5-en-1-yn-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S,2R)-1-ethynyl-2-methyl-but-3-enyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3S,4R)-4-methylhex-5-en-1-yn-3-yl] ester IUPAC Name: [(3S,4R)-4-methylhex-5-en-1-yn-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S,2R)-1-ethynyl-2-methyl-but-3-enyl] ester Formula: C17H17F3O3 MolecularWeight: 326.31029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C#C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

Isomeric SMILES

C[C@H](C=C)[C@@H](C#C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

InChI

InChI=1S/C17H17F3O3/c1-5-12(3)14(6-2)23-15(21)16(22-4,17(18,19)20)13-10-8-7-9-11-13/h2,5,7-12,14H,1H2,3-4H3/t12-,14-,16?/m1/s1