(1Z,5Z)-cycloocta-1,5-diene; ethanenitrile; iridium; trimethylphosphane; tetrafluoroborate

Systemtic Name: (1Z,5Z)-cycloocta-1,5-diene; ethanenitrile; iridium; trimethylphosphane; tetrafluoroborate Openeye Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; trimethylphosphane; tetrafluoroborate CAS Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; trimethylphosphine; tetrafluoroborate IUPAC Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; trimethylphosphane; tetrafluoroborate Traditional Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; trimethylphosphine; tetrafluoroborate Formula: C13H24BF4IrNP- MolecularWeight: 504.331734

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC#N.CP(C)C.C1CC=CCCC=C1.[Ir]

Isomeric SMILES

[B-](F)(F)(F)F.CC#N.CP(C)C.C1/C=C\CC/C=C\C1.[Ir]

InChI

InChI=1S/C8H12.C3H9P.C2H3N.BF4.Ir/c1-2-4-6-8-7-5-3-1;1-4(2)3;1-2-3;2-1(3,4)5;/h1-2,7-8H,3-6H2;1-3H3;1H3;;/q;;;-1;/b2-1-,8-7-;;;;