buta-1,3-diyne; carbon monoxide; cyclopentane; iridium; triphenylphosphane; tungsten(2+)

Systemtic Name: buta-1,3-diyne; carbon monoxide; cyclopentane; iridium; triphenylphosphane; tungsten(2+) Openeye Name: buta-1,3-diyne; carbon monoxide; cyclopentane; iridium; triphenylphosphane; tungsten(2+) CAS Name: buta-1,3-diyne; carbon monoxide; cyclopentane; iridium; triphenylphosphine; tungsten(2+) IUPAC Name: buta-1,3-diyne; carbon monoxide; cyclopentane; iridium; triphenylphosphane; tungsten(2+) Traditional Name: buta-1,3-diyne; carbon monoxide; cyclopentane; iridium; triphenylphosphine; tungsten(2+) Formula: C49H35IrO4P2W MolecularWeight: 1125.804322

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC#[C-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[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.[CH]1[CH][CH][CH][CH]1.[W+2].[Ir]

Isomeric SMILES

[C-]#CC#[C-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[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.[CH]1[CH][CH][CH][CH]1.[W+2].[Ir]

InChI

InChI=1S/2C18H15P.C5H5.C4.4CO.Ir.W/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-4-2;4*1-2;;/h2*1-15H;1-5H;;;;;;;/q;;;-2;;;;;;+2