[3-(3-ethylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(3-ethylphenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(3-ethylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(3-ethylphenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(3-ethylphenyl)phenyl] ester Formula: C18H19F3O3S MolecularWeight: 372.40187

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

CCC1=CC=CC(=C1)C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C18H19F3O3S/c1-2-14-6-3-7-15(12-14)16-8-4-9-17(13-16)24-25(22,23)11-5-10-18(19,20)21/h3-4,6-9,12-13H,2,5,10-11H2,1H3