iridium(3+); methylsulfinylmethane; 1,10-phenanthroline; tribromide; hydrate

Systemtic Name: iridium(3+); methylsulfinylmethane; 1,10-phenanthroline; tribromide; hydrate Openeye Name: iridium(3+); methylsulfinylmethane; 1,10-phenanthroline; tribromide; hydrate CAS Name: iridium(3+); methylsulfinylmethane; 1,10-phenanthroline; tribromide; hydrate IUPAC Name: iridium(3+); methylsulfinylmethane; 1,10-phenanthroline; tribromide; hydrate Traditional Name: iridium(3+); methylsulfinylmethane; 1,10-phenanthroline; tribromide; hydrate Formula: C14H16Br3IrN2O2S MolecularWeight: 708.28304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.[Br-].[Br-].[Br-].[Ir+3]

Isomeric SMILES

CS(=O)C.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.[Br-].[Br-].[Br-].[Ir+3]

InChI

InChI=1S/C12H8N2.C2H6OS.3BrH.Ir.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;;;;;/h1-8H;1-2H3;3*1H;;1H2/q;;;;;+3;/p-3