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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)OC2=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)5-9(4-7)27-28(25,26)10-1-2-11(21)12(6-10)22(23)24/h1-6H,21H2