2-iodanyl-5-methyl-phenazin-5-ium; methyl sulfate

Systemtic Name: 2-iodanyl-5-methyl-phenazin-5-ium; methyl sulfate Openeye Name: 2-iodo-5-methyl-phenazin-5-ium; methyl sulfate CAS Name: 2-iodo-5-methylphenazin-5-ium; methyl sulfate IUPAC Name: 2-iodo-5-methylphenazin-5-ium; methyl sulfate Traditional Name: 2-iodo-5-methyl-phenazin-5-ium; methyl sulfate Formula: C14H13IN2O4S MolecularWeight: 432.23349

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=NC3=CC=CC=C31)I.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=NC3=CC=CC=C31)I.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H10IN2.CH4O4S/c1-16-12-5-3-2-4-10(12)15-11-8-9(14)6-7-13(11)16;1-5-6(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)/q+1;/p-1