(2-nitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-nitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: (2-nitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3,5-bis(trifluoromethyl)benzenesulfonic acid (2-nitrobenzyl) ester Formula: C15H9F6NO5S MolecularWeight: 429.291079

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H9F6NO5S/c16-14(17,18)10-5-11(15(19,20)21)7-12(6-10)28(25,26)27-8-9-3-1-2-4-13(9)22(23)24/h1-7H,8H2