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

Systemtic Name: benzenecarbonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate Openeye Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate CAS Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate IUPAC Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate Traditional Name: benzonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrafluoroborate Formula: C22H22BF4IrN2- MolecularWeight: 593.445093

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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)C#N.[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)C#N.[Ir]

InChI

InChI=1S/C8H12.2C7H5N.BF4.Ir/c1-2-4-6-8-7-5-3-1;2*8-6-7-4-2-1-3-5-7;2-1(3,4)5;/h1-2,7-8H,3-6H2;2*1-5H;;/q;;;-1;/b2-1-,8-7-;;;;