6-nitro-4-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 6-nitro-4-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 6-nitro-4-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 6-nitro-4-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 6-nitro-4-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 6-nitro-4-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C8H2F3NO3S2 MolecularWeight: 281.23159

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1SC(=O)S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C8H2F3NO3S2/c9-8(10,11)4-1-3(12(14)15)2-5-6(4)17-7(13)16-5/h1-2H