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

Systemtic Name: iridium(3+); methanol; methylsulfinylmethane; 1,10-phenanthroline; trichloride; hydrate Openeye Name: iridium(3+); methanol; methylsulfinylmethane; 1,10-phenanthroline; trichloride; hydrate CAS Name: iridium(3+); methanol; methylsulfinylmethane; 1,10-phenanthroline; trichloride; hydrate IUPAC Name: iridium(3+); methanol; methylsulfinylmethane; 1,10-phenanthroline; trichloride; hydrate Traditional Name: iridium(3+); methanol; methylsulfinylmethane; 1,10-phenanthroline; trichloride; hydrate Formula: C15H20Cl3IrN2O3S MolecularWeight: 606.9719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2.C2H6OS.CH4O.3ClH.Ir.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-4(2)3;1-2;;;;;/h1-8H;1-2H3;2H,1H3;3*1H;;1H2/q;;;;;;+3;/p-3