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

Systemtic Name: (1Z,5Z)-cycloocta-1,5-diene; ethanenitrile; iridium; tetratetrafluoroborate Openeye Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetratetrafluoroborate CAS Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetratetrafluoroborate IUPAC Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetratetrafluoroborate Traditional Name: acetonitrile; (1Z,5Z)-cycloocta-1,5-diene; iridium; tetratetrafluoroborate Formula: C12H18B4F16IrN2-4 MolecularWeight: 729.720171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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