buta-1,3-diene; carbon monoxide; 1-ethynylcyclohexene; iridium(3+); triphenylphosphane

Systemtic Name: buta-1,3-diene; carbon monoxide; 1-ethynylcyclohexene; iridium(3+); triphenylphosphane Openeye Name: buta-1,3-diene; carbon monoxide; 1-ethynylcyclohexene; iridium(3+); triphenylphosphane CAS Name: buta-1,3-diene; carbon monoxide; 1-ethynylcyclohexene; iridium(3+); triphenylphosphine IUPAC Name: buta-1,3-diene; carbon monoxide; 1-ethynylcyclohexene; iridium(3+); triphenylphosphane Traditional Name: buta-1,3-diene; carbon monoxide; 1-ethynylcyclohexene; iridium(3+); triphenylphosphine Formula: C49H43IrOP2 MolecularWeight: 902.029642

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=CC=[CH-].[C-]#CC1=CCCCC1.[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+3]

Isomeric SMILES

[CH-]=CC=[CH-].[C-]#CC1=CCCCC1.[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+3]

InChI

InChI=1S/2C18H15P.C8H9.C4H4.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;1-2-8-6-4-3-5-7-8;1-3-4-2;1-2;/h2*1-15H;6H,3-5,7H2;1-4H;;/q;;-1;-2;;+3