[(2R)-1-phenylsulfanyloctan-2-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(2R)-1-phenylsulfanyloctan-2-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R)-1-(phenylsulfanylmethyl)heptyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2R)-1-(phenylthio)octan-2-yl] ester IUPAC Name: [(2R)-1-phenylsulfanyloctan-2-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R)-1-[(phenylthio)methyl]heptyl] ester Formula: C24H29F3O3S MolecularWeight: 454.54547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CSC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

Isomeric SMILES

CCCCCC[C@H](CSC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

InChI

InChI=1S/C24H29F3O3S/c1-3-4-5-10-15-20(18-31-21-16-11-7-12-17-21)30-22(28)23(29-2,24(25,26)27)19-13-8-6-9-14-19/h6-9,11-14,16-17,20H,3-5,10,15,18H2,1-2H3/t20-,23?/m1/s1