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

Systemtic Name: [3-(1-methylindazol-4-yl)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(1-methylindazol-4-yl)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(1-methylindazol-4-yl)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(1-methylindazol-4-yl)phenyl] ester Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2C=N1)C3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F

Isomeric SMILES

CN1C2=CC=CC(=C2C=N1)C3=CC(=CC=C3)OS(=O)(=O)CCCC(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S/c1-23-17-8-3-7-15(16(17)12-22-23)13-5-2-6-14(11-13)26-27(24,25)10-4-9-18(19,20)21/h2-3,5-8,11-12H,4,9-10H2,1H3