2,6-dimethyl-4-[(4-nitrophenyl)methylsulfanyl]pyrylium iodide

Systemtic Name: 2,6-dimethyl-4-[(4-nitrophenyl)methylsulfanyl]pyrylium iodide Openeye Name: 2,6-dimethyl-4-[(4-nitrophenyl)methylsulfanyl]pyrylium iodide CAS Name: 2,6-dimethyl-4-[(4-nitrophenyl)methylthio]pyrylium iodide IUPAC Name: 2,6-dimethyl-4-[(4-nitrophenyl)methylsulfanyl]pyrylium iodide Traditional Name: 2,6-dimethyl-4-[(4-nitrobenzyl)thio]pyrylium iodide Formula: C14H14INO3S MolecularWeight: 403.23533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[O+]1)C)SCC2=CC=C(C=C2)[N+](=O)[O-].[I-]

Isomeric SMILES

CC1=CC(=CC(=[O+]1)C)SCC2=CC=C(C=C2)[N+](=O)[O-].[I-]

InChI

InChI=1S/C14H14NO3S.HI/c1-10-7-14(8-11(2)18-10)19-9-12-3-5-13(6-4-12)15(16)17;/h3-8H,9H2,1-2H3;1H/q+1;/p-1