1-(3,8-dinitrothianthren-2-yl)-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-(3,8-dinitrothianthren-2-yl)-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-(3,8-dinitrothianthren-2-yl)-2,2,2-trifluoro-ethanone CAS Name: 1-(3,8-dinitro-2-thianthrenyl)-2,2,2-trifluoroethanone IUPAC Name: 1-(3,8-dinitrothianthren-2-yl)-2,2,2-trifluoroethanone Traditional Name: 1-(3,8-dinitrothianthren-2-yl)-2,2,2-trifluoro-ethanone Formula: C14H5F3N2O5S2 MolecularWeight: 402.32511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC3=C(S2)C=C(C(=C3)C(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC3=C(S2)C=C(C(=C3)C(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H5F3N2O5S2/c15-14(16,17)13(20)7-4-11-12(5-8(7)19(23)24)25-9-2-1-6(18(21)22)3-10(9)26-11/h1-5H