ethanenitrile; iridium; (5E)-octa-1,5-diene; tetratetrafluoroborate

Systemtic Name: ethanenitrile; iridium; (5E)-octa-1,5-diene; tetratetrafluoroborate Openeye Name: acetonitrile; iridium; (5E)-octa-1,5-diene; tetratetrafluoroborate CAS Name: acetonitrile; iridium; (5E)-octa-1,5-diene; tetratetrafluoroborate IUPAC Name: acetonitrile; iridium; (5E)-octa-1,5-diene; tetratetrafluoroborate Traditional Name: acetonitrile; iridium; (5E)-octa-1,5-diene; tetratetrafluoroborate Formula: C10H17B4F16IrN-4 MolecularWeight: 690.684131

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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.CCC=CCCC=C.CC#N.[Ir]

Isomeric SMILES

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

InChI

InChI=1S/C8H14.C2H3N.4BF4.Ir/c1-3-5-7-8-6-4-2;1-2-3;4*2-1(3,4)5;/h3,6,8H,1,4-5,7H2,2H3;1H3;;;;;/q;;4*-1;/b8-6+;;;;;;