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

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(trifluoromethyl)benzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-(trifluoromethyl)benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H10F3NO5S MolecularWeight: 361.29311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10F3NO5S/c1-9-2-7-13(12(8-9)18(19)20)23-24(21,22)11-5-3-10(4-6-11)14(15,16)17/h2-8H,1H3