[6-nitro-2,2-bis(trifluoromethyl)chromen-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-nitro-2,2-bis(trifluoromethyl)chromen-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-nitro-2,2-bis(trifluoromethyl)chromen-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-nitro-2,2-bis(trifluoromethyl)-1-benzopyran-4-yl] ester IUPAC Name: [6-nitro-2,2-bis(trifluoromethyl)chromen-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-nitro-2,2-bis(trifluoromethyl)chromen-4-yl] ester Formula: C12H4F9NO6S MolecularWeight: 461.213889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=CC(O2)(C(F)(F)F)C(F)(F)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CC(O2)(C(F)(F)F)C(F)(F)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H4F9NO6S/c13-10(14,15)9(11(16,17)18)4-8(28-29(25,26)12(19,20)21)6-3-5(22(23)24)1-2-7(6)27-9/h1-4H