carbon monoxide; hydride; iridium(3+); triphenylphosphane; dichloride

Systemtic Name: carbon monoxide; hydride; iridium(3+); triphenylphosphane; dichloride Openeye Name: carbon monoxide; hydride; iridium(3+); triphenylphosphane; dichloride CAS Name: carbon monoxide; hydride; iridium(3+); triphenylphosphine; dichloride IUPAC Name: carbon monoxide; hydride; iridium(3+); triphenylphosphane; dichloride Traditional Name: carbon monoxide; hydride; iridium(3+); triphenylphosphine; dichloride Formula: C37H31Cl2IrOP2 MolecularWeight: 816.711962

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Descriptors Computed from Structure

Canonical SMILES:

[H-].[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-].[Cl-].[Ir+3]

Isomeric SMILES

[H-].[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-].[Cl-].[Ir+3]

InChI

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