[(2S)-octan-2-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(2S)-octan-2-yl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-methylheptyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-1-methylheptyl] ester Formula: C18H25F3O3 MolecularWeight: 346.38451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3O3/c1-4-5-6-8-11-14(2)24-16(22)17(23-3,18(19,20)21)15-12-9-7-10-13-15/h7,9-10,12-14H,4-6,8,11H2,1-3H3/t14-,17-/m0/s1