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

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (2-formyl-4-nitro-phenyl) 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-formyl-4-nitro-phenyl) ester Formula: C15H7F6NO6S MolecularWeight: 443.274599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H7F6NO6S/c16-14(17,18)9-4-10(15(19,20)21)6-12(5-9)29(26,27)28-13-2-1-11(22(24)25)3-8(13)7-23/h1-7H