(6-methyl-2-nitro-pyridin-3-yl) 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (6-methyl-2-nitro-pyridin-3-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (6-methyl-2-nitro-3-pyridyl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (6-methyl-2-nitro-3-pyridinyl) ester IUPAC Name: (6-methyl-2-nitropyridin-3-yl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (6-methyl-2-nitro-3-pyridyl) ester Formula: C14H8F6N2O5S MolecularWeight: 430.279139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8F6N2O5S/c1-7-2-3-11(12(21-7)22(23)24)27-28(25,26)10-5-8(13(15,16)17)4-9(6-10)14(18,19)20/h2-6H,1H3