benzene; carbanide; (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphane; hexafluorophosphate

Systemtic Name: benzene; carbanide; (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphane; hexafluorophosphate Openeye Name: benzene; carbanide; (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphane; hexafluorophosphate CAS Name: benzene; carbanide; (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphine; hexafluorophosphate IUPAC Name: benzene; carbanide; (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphane; hexafluorophosphate Traditional Name: benzene; carbanide; (1Z,5Z)-cycloocta-1,5-diene; iridium; phosphine; hexafluorophosphate Formula: C22H31F6IrP2-5 MolecularWeight: 663.636481

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1CC=CCCC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.F[P-](F)(F)(F)(F)F.P.[Ir]

Isomeric SMILES

[CH3-].[CH3-].C1/C=C\CC/C=C\C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.F[P-](F)(F)(F)(F)F.P.[Ir]

InChI

InChI=1S/C8H12.2C6H5.2CH3.F6P.Ir.H3P/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;;;1-7(2,3,4,5)6;;/h1-2,7-8H,3-6H2;2*1-5H;2*1H3;;;1H3/q;5*-1;;/b2-1-,8-7-;;;;;;;