methyl-phenyl-[5-(trifluoromethyl)-1,3-benzodithiol-2-ylidene]azanium iodide

Systemtic Name: methyl-phenyl-[5-(trifluoromethyl)-1,3-benzodithiol-2-ylidene]azanium iodide Openeye Name: methyl-phenyl-[5-(trifluoromethyl)-1,3-benzodithiol-2-ylidene]ammonium iodide CAS Name: methyl-phenyl-[5-(trifluoromethyl)-1,3-benzodithiol-2-ylidene]ammonium iodide IUPAC Name: methyl-phenyl-[5-(trifluoromethyl)-1,3-benzodithiol-2-ylidene]azanium iodide Traditional Name: methyl-phenyl-[5-(trifluoromethyl)-1,3-benzodithiol-2-ylidene]ammonium iodide Formula: C15H11F3INS2 MolecularWeight: 453.28422

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1SC2=C(S1)C=C(C=C2)C(F)(F)F)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](=C1SC2=C(S1)C=C(C=C2)C(F)(F)F)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C15H11F3NS2.HI/c1-19(11-5-3-2-4-6-11)14-20-12-8-7-10(15(16,17)18)9-13(12)21-14;/h2-9H,1H3;1H/q+1;/p-1