4-morpholin-4-yl-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 4-morpholin-4-yl-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 4-morpholino-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 4-(4-morpholinyl)-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 4-morpholin-4-yl-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 4-morpholino-5-nitro-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C12H9F3N2O4S2 MolecularWeight: 366.33607

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C3=C2SC(=O)S3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C3=C2SC(=O)S3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9F3N2O4S2/c13-12(14,15)6-5-7(17(19)20)8(16-1-3-21-4-2-16)10-9(6)22-11(18)23-10/h5H,1-4H2