4,6-dinitro-2-[4-(trifluoromethyloxy)phenyl]-1,2-benzothiazol-3-one

Systemtic Name: 4,6-dinitro-2-[4-(trifluoromethyloxy)phenyl]-1,2-benzothiazol-3-one Openeye Name: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3-one CAS Name: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3-one IUPAC Name: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3-one Traditional Name: 4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazol-3-one Formula: C14H6F3N3O6S MolecularWeight: 401.27415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C14H6F3N3O6S/c15-14(16,17)26-9-3-1-7(2-4-9)18-13(21)12-10(20(24)25)5-8(19(22)23)6-11(12)27-18/h1-6H