(1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; hexafluorophosphate

Systemtic Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; hexafluorophosphate Openeye Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; hexafluorophosphate CAS Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphine; hexafluorophosphate IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; hexafluorophosphate Traditional Name: (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphine; hexafluorophosphate Formula: C44H42F6IrP3- MolecularWeight: 969.932982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CCCC=C1.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.F[P-](F)(F)(F)(F)F.[Ir]

Isomeric SMILES

C1/C=C\CC/C=C\C1.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.F[P-](F)(F)(F)(F)F.[Ir]

InChI

InChI=1S/2C18H15P.C8H12.F6P.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*1-15H;1-2,7-8H,3-6H2;;/q;;;-1;/b;;2-1-,8-7-;;