but-1-yne; carbon monoxide; cobalt; cyclopentane; molybdenum; triphenylphosphane; tetrafluoroborate

Systemtic Name: but-1-yne; carbon monoxide; cobalt; cyclopentane; molybdenum; triphenylphosphane; tetrafluoroborate Openeye Name: but-1-yne; carbon monoxide; cobalt; cyclopentane; molybdenum; triphenylphosphane; tetrafluoroborate CAS Name: 1-butyne; carbon monoxide; cobalt; cyclopentane; molybdenum; triphenylphosphine; tetrafluoroborate IUPAC Name: but-1-yne; carbon monoxide; cobalt; cyclopentane; molybdenum; triphenylphosphane; tetrafluoroborate Traditional Name: but-1-yne; carbon monoxide; cobalt; cyclopentane; molybdenum; triphenylphosphine; tetrafluoroborate Formula: C32H25BCoF4MoO5P MolecularWeight: 762.189474

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[CH+]C#C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Co].[Mo]

Isomeric SMILES

[B-](F)(F)(F)F.C[CH+]C#C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Co].[Mo]

InChI

InChI=1S/C18H15P.C5H5.C4H5.5CO.BF4.Co.Mo/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-4-2;5*1-2;2-1(3,4)5;;/h1-15H;1-5H;1,4H,2H3;;;;;;;;/q;;+1;;;;;;-1;;