carbon monoxide; chloranylruthenium; 2-diphenylphosphanylbenzaldehyde; 1H-pyrazole

Systemtic Name: carbon monoxide; chloranylruthenium; 2-diphenylphosphanylbenzaldehyde; 1H-pyrazole Openeye Name: carbon monoxide; chlororuthenium; 2-diphenylphosphanylbenzaldehyde; 1H-pyrazole CAS Name: carbon monoxide; chlororuthenium; 2-diphenylphosphinobenzaldehyde; 1H-pyrazole IUPAC Name: carbon monoxide; chlororuthenium; 2-diphenylphosphanylbenzaldehyde; 1H-pyrazole Traditional Name: carbon monoxide; chlororuthenium; 2-diphenylphosphinobenzaldehyde; 1H-pyrazole Formula: C42H34ClN2O3P2Ru MolecularWeight: 813.201482

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C=O.C1=CNN=C1.Cl[Ru]

Isomeric SMILES

[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C=O.C1=CNN=C1.Cl[Ru]

InChI

InChI=1S/2C19H15OP.C3H4N2.CO.ClH.Ru/c2*20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18;1-2-4-5-3-1;1-2;;/h2*1-15H;1-3H,(H,4,5);;1H;/q;;;;;+1/p-1