carbon monoxide; 2-(phenylcarbamoyl)benzoate; ruthenium(1+); triphenylphosphane

Systemtic Name: carbon monoxide; 2-(phenylcarbamoyl)benzoate; ruthenium(1+); triphenylphosphane Openeye Name: carbon monoxide; 2-(phenylcarbamoyl)benzoate; ruthenium(1+); triphenylphosphane CAS Name: 2-[anilino(oxo)methyl]benzoate; carbon monoxide; ruthenium(1+); triphenylphosphine IUPAC Name: carbon monoxide; 2-(phenylcarbamoyl)benzoate; ruthenium(1+); triphenylphosphane Traditional Name: carbon monoxide; 2-(phenylcarbamoyl)benzoate; ruthenium(1+); triphenylphosphine Formula: C51H40NO4P2Ru MolecularWeight: 893.885122

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[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.[Ru+]

Isomeric SMILES

[C-]#[O+].C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)[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.[Ru+]

InChI

InChI=1S/2C18H15P.C14H11NO3.CO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18;1-2;/h2*1-15H;1-9H,(H,15,16)(H,17,18);;/q;;;;+1/p-1