carbon monoxide; chloranylruthenium(1+); (2,3,4,5-tetraphenylcyclopentyl) benzoate

Systemtic Name: carbon monoxide; chloranylruthenium(1+); (2,3,4,5-tetraphenylcyclopentyl) benzoate Openeye Name: carbon monoxide; chlororuthenium(1+); (2,3,4,5-tetraphenylcyclopentyl) benzoate CAS Name: benzoic acid (2,3,4,5-tetraphenylcyclopentyl) ester; carbon monoxide; chlororuthenium(1+) IUPAC Name: carbon monoxide; chlororuthenium(1+); (2,3,4,5-tetraphenylcyclopentyl) benzoate Traditional Name: benzoic acid (2,3,4,5-tetraphenylcyclopentyl) ester; carbon monoxide; chlororuthenium(1+) Formula: C38H25ClO4Ru+ MolecularWeight: 682.1257

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.Cl[Ru+]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C]2[C]([C]([C]([C]2C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.Cl[Ru+]

InChI

InChI=1S/C36H25O2.2CO.ClH.Ru/c37-36(30-24-14-5-15-25-30)38-35-33(28-20-10-3-11-21-28)31(26-16-6-1-7-17-26)32(27-18-8-2-9-19-27)34(35)29-22-12-4-13-23-29;2*1-2;;/h1-25H;;;1H;/q;;;;+2/p-1