[2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-methylsulfonyl-azanide

Systemtic Name: [2-[2,2-bis(fluoranylmethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-methylsulfonyl-azanide Openeye Name: [2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-methylsulfonyl-azanide CAS Name: [2-[2,2-bis(fluoromethyl)-6-nitro-1-benzopyran-4-yl]-1-pyridin-1-iumyl]-methylsulfonylazanide IUPAC Name: [2-[2,2-bis(fluoromethyl)-6-nitrochromen-4-yl]pyridin-1-ium-1-yl]-methylsulfonylazanide Traditional Name: [2-[2,2-bis(fluoromethyl)-6-nitro-chromen-4-yl]pyridin-1-ium-1-yl]-mesyl-azanide Formula: C17H15F2N3O5S MolecularWeight: 411.379906

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N-][N+]1=CC=CC=C1C2=CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF

Isomeric SMILES

CS(=O)(=O)[N-][N+]1=CC=CC=C1C2=CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(CF)CF

InChI

InChI=1S/C17H15F2N3O5S/c1-28(25,26)20-21-7-3-2-4-15(21)14-9-17(10-18,11-19)27-16-6-5-12(22(23)24)8-13(14)16/h2-9H,10-11H2,1H3