(4-azanyl-3-nitro-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C14H8F6N2O5S MolecularWeight: 430.279139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1OS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C14H8F6N2O5S/c15-13(16,17)7-3-8(14(18,19)20)5-10(4-7)28(25,26)27-9-1-2-11(21)12(6-9)22(23)24/h1-6H,21H2