carbon monoxide; iridium; [(3Z)-1-phenylpenta-1,3-dien-2-yl]benzene; triphenylphosphane

Systemtic Name: carbon monoxide; iridium; [(3Z)-1-phenylpenta-1,3-dien-2-yl]benzene; triphenylphosphane Openeye Name: carbon monoxide; iridium; [(Z)-1-(phenylmethylene)but-2-enyl]benzene; triphenylphosphane CAS Name: carbon monoxide; iridium; [(3Z)-1-phenylpenta-1,3-dien-2-yl]benzene; triphenylphosphine IUPAC Name: carbon monoxide; iridium; [(3Z)-1-phenylpenta-1,3-dien-2-yl]benzene; triphenylphosphane Traditional Name: carbon monoxide; iridium; [(Z)-1-(phenylmethylene)but-2-enyl]benzene; triphenylphosphine Formula: C54H44IrOP2-2 MolecularWeight: 963.091082

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C=CC(=[C-]C1=CC=CC=C1)C2=CC=CC=C2.[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.[Ir]

Isomeric SMILES

[CH2-]/C=C\C(=[C-]C1=CC=CC=C1)C2=CC=CC=C2.[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.[Ir]

InChI

InChI=1S/2C18H15P.C17H14.CO.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15;1-2;/h2*1-15H;2-13H,1H2;;/q;;-2;;/b;;9-2-;;