(2,6-dinitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (2,6-dinitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (2,6-dinitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2,6-dinitrophenyl)methyl ester IUPAC Name: (2,6-dinitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2,6-dinitrobenzyl) ester Formula: C15H8F6N2O7S MolecularWeight: 474.288639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8F6N2O7S/c16-14(17,18)8-4-9(15(19,20)21)6-10(5-8)31(28,29)30-7-11-12(22(24)25)2-1-3-13(11)23(26)27/h1-6H,7H2