bis(chloranyl)iridium(1+); carbon monoxide; (4-methylphenoxy)methanethione; triphenylphosphane

Systemtic Name: bis(chloranyl)iridium(1+); carbon monoxide; (4-methylphenoxy)methanethione; triphenylphosphane Openeye Name: carbon monoxide; dichloroiridium(1+); (4-methylphenoxy)methanethione; triphenylphosphane CAS Name: carbon monoxide; dichloroiridium(1+); (4-methylphenoxy)methanethione; triphenylphosphine IUPAC Name: carbon monoxide; dichloroiridium(1+); (4-methylphenoxy)methanethione; triphenylphosphane Traditional Name: carbon monoxide; dichloroiridium(1+); (4-methylphenoxy)methanethione; triphenylphosphine Formula: C45H37Cl2IrO2P2S MolecularWeight: 966.909602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)O[C-]=S.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ir+]Cl

Isomeric SMILES

CC1=CC=C(C=C1)O[C-]=S.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ir+]Cl

InChI

InChI=1S/2C18H15P.C8H7OS.CO.2ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-2-4-8(5-3-7)9-6-10;1-2;;;/h2*1-15H;2-5H,1H3;;2*1H;/q;;-1;;;;+3/p-2