(4-methyl-2-nitro-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H9ClF3NO5S MolecularWeight: 395.73817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClF3NO5S/c1-8-2-5-13(12(6-8)19(20)21)24-25(22,23)9-3-4-11(15)10(7-9)14(16,17)18/h2-7H,1H3