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

Systemtic Name: [3-(3-nitrophenyl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(3-nitrophenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(3-nitrophenyl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(3-nitrophenyl)phenyl] ester Formula: C16H14F3NO5S MolecularWeight: 389.34627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C16H14F3NO5S/c17-16(18,19)8-3-9-26(23,24)25-15-7-2-5-13(11-15)12-4-1-6-14(10-12)20(21)22/h1-2,4-7,10-11H,3,8-9H2