[3-(2-methyl-3-nitro-phenoxy)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate

Systemtic Name: [3-(2-methyl-3-nitro-phenoxy)phenyl] 4,4,4-tris(fluoranyl)butane-1-sulfonate Openeye Name: [3-(2-methyl-3-nitro-phenoxy)phenyl] 4,4,4-trifluorobutane-1-sulfonate CAS Name: 4,4,4-trifluoro-1-butanesulfonic acid IUPAC Name: [3-(2-methyl-3-nitrophenoxy)phenyl] 4,4,4-trifluorobutane-1-sulfonate Traditional Name: 4,4,4-trifluorobutane-1-sulfonic acid [3-(2-methyl-3-nitro-phenoxy)phenyl] ester Formula: C17H16F3NO6S MolecularWeight: 419.37225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OC2=CC(=CC=C2)OS(=O)(=O)CCCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3NO6S/c1-12-15(21(22)23)7-3-8-16(12)26-13-5-2-6-14(11-13)27-28(24,25)10-4-9-17(18,19)20/h2-3,5-8,11H,4,9-10H2,1H3