3,7-dinitro-1-(trifluoromethyl)dibenzothiophene

Systemtic Name: 3,7-dinitro-1-(trifluoromethyl)dibenzothiophene Openeye Name: 3,7-dinitro-1-(trifluoromethyl)dibenzothiophene CAS Name: 3,7-dinitro-1-(trifluoromethyl)dibenzothiophene IUPAC Name: 3,7-dinitro-1-(trifluoromethyl)dibenzothiophene Traditional Name: 3,7-dinitro-1-(trifluoromethyl)dibenzothiophene Formula: C13H5F3N2O4S MolecularWeight: 342.25001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC3=C2C(=CC(=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC3=C2C(=CC(=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H5F3N2O4S/c14-13(15,16)9-3-7(18(21)22)5-11-12(9)8-2-1-6(17(19)20)4-10(8)23-11/h1-5H