carbon monoxide; cobalt; indene; 3-phenylpenta-1,4-diyn-3-ylbenzene; ruthenium(2+); triphenylphosphane

Systemtic Name: carbon monoxide; cobalt; indene; 3-phenylpenta-1,4-diyn-3-ylbenzene; ruthenium(2+); triphenylphosphane Openeye Name: carbon monoxide; cobalt; (1-ethynyl-1-phenyl-prop-2-ynyl)benzene; indene; ruthenium(2+); triphenylphosphane CAS Name: carbon monoxide; cobalt; indene; 3-phenylpenta-1,4-diyn-3-ylbenzene; ruthenium(2+); triphenylphosphine IUPAC Name: carbon monoxide; cobalt; indene; 3-phenylpenta-1,4-diyn-3-ylbenzene; ruthenium(2+); triphenylphosphane Traditional Name: carbon monoxide; cobalt; (1-ethynyl-1-phenyl-prop-2-ynyl)benzene; indene; ruthenium(2+); triphenylphosphine Formula: C68H48Co2O6P2Ru+ MolecularWeight: 1241.989042

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C#[C-])(C1=CC=CC=C1)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=C[C]2[CH][CH][CH][C]2C=C1.[Co].[Co].[Ru+2]

Isomeric SMILES

C#CC(C#[C-])(C1=CC=CC=C1)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=C[C]2[CH][CH][CH][C]2C=C1.[Co].[Co].[Ru+2]

InChI

InChI=1S/2C18H15P.C17H11.C9H7.6CO.2Co.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-17(4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-5-9-7-3-6-8(9)4-1;6*1-2;;;/h2*1-15H;1,5-14H;1-7H;;;;;;;;;/q;;-1;;;;;;;;;;+2