[3-(2-propan-2-ylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(2-propan-2-ylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(2-isopropylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(2-propan-2-ylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid (3-o-cumenylphenyl) ester Formula: C19H21F3O3S MolecularWeight: 386.42845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C19H21F3O3S/c1-14(2)17-9-3-4-10-18(17)15-7-5-8-16(13-15)25-26(23,24)12-6-11-19(20,21)22/h3-5,7-10,13-14H,6,11-12H2,1-2H3