[3,4-bis(fluoranyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [3,4-bis(fluoranyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: (3,4-difluorophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (3,4-difluorophenyl) ester IUPAC Name: (3,4-difluorophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (3,4-difluorophenyl) ester Formula: C13H9F2NO5S MolecularWeight: 329.276066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=C(C=C2)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H9F2NO5S/c1-8-2-3-9(16(17)18)6-13(8)22(19,20)21-10-4-5-11(14)12(15)7-10/h2-7H,1H3