carbon monoxide; (6-methylpyridin-2-yl)azanide; 2-phenylethenylbenzene; ruthenium(1+); tetrafluoroborate

Systemtic Name: carbon monoxide; (6-methylpyridin-2-yl)azanide; 2-phenylethenylbenzene; ruthenium(1+); tetrafluoroborate Openeye Name: carbon monoxide; (6-methyl-2-pyridyl)azanide; 2-phenylvinylbenzene; ruthenium(1+); tetrafluoroborate CAS Name: carbon monoxide; (6-methyl-2-pyridinyl)azanide; 2-phenylethenylbenzene; ruthenium(1+); tetrafluoroborate IUPAC Name: carbon monoxide; (6-methylpyridin-2-yl)azanide; 2-phenylethenylbenzene; ruthenium(1+); tetrafluoroborate Traditional Name: carbon monoxide; (6-methyl-2-pyridyl)azanide; 2-phenylvinylbenzene; ruthenium(1+); tetrafluoroborate Formula: C28H18BF4N2O8Ru3 MolecularWeight: 900.465733

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=NC(=CC=C1)[NH-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C=[C-]C2=CC=CC=C2.[Ru+].[Ru+].[Ru+]

Isomeric SMILES

[B-](F)(F)(F)F.CC1=NC(=CC=C1)[NH-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C=[C-]C2=CC=CC=C2.[Ru+].[Ru+].[Ru+]

InChI

InChI=1S/C14H11.C6H7N2.8CO.BF4.3Ru/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-5-3-2-4-6(7)8-5;8*1-2;2-1(3,4)5;;;/h1-11H;2-4H,1H3,(H-,7,8);;;;;;;;;;;;/q2*-1;;;;;;;;;-1;3*+1