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

Systemtic Name: benzenecarbonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; tetrafluoroborate Openeye Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; tetrafluoroborate CAS Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphine; tetrafluoroborate IUPAC Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphane; tetrafluoroborate Traditional Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; triphenylphosphine; tetrafluoroborate Formula: C33H32BF4IrNP- MolecularWeight: 752.609254

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1CC=CCCC=C1.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

Isomeric SMILES

[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

InChI

InChI=1S/C18H15P.C8H12.C7H5N.BF4.Ir/c1-4-10-16(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;8-6-7-4-2-1-3-5-7;2-1(3,4)5;/h1-15H;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;/b;2-1-,8-7-;;;