[3-(3-pentylphenyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(3-pentylphenyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(3-pentylphenyl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(3-pentylphenyl)phenyl] ester IUPAC Name: [3-(3-pentylphenyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(3-amylphenyl)phenyl] ester Formula: C18H19F3O3S MolecularWeight: 372.40187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1)C2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCC1=CC=CC(=C1)C2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H19F3O3S/c1-2-3-4-7-14-8-5-9-15(12-14)16-10-6-11-17(13-16)24-25(22,23)18(19,20)21/h5-6,8-13H,2-4,7H2,1H3