carbon monoxide; 2,2-dimethyl-1-phenyl-propan-1-one; 4-methylphenolate; ruthenium(2+); triphenylphosphane

Systemtic Name: carbon monoxide; 2,2-dimethyl-1-phenyl-propan-1-one; 4-methylphenolate; ruthenium(2+); triphenylphosphane Openeye Name: carbon monoxide; 2,2-dimethyl-1-phenyl-propan-1-one; 4-methylphenolate; ruthenium(2+); triphenylphosphane CAS Name: carbon monoxide; 2,2-dimethyl-1-phenyl-1-propanone; 4-methylphenolate; ruthenium(2+); triphenylphosphine IUPAC Name: carbon monoxide; 2,2-dimethyl-1-phenylpropan-1-one; 4-methylphenolate; ruthenium(2+); triphenylphosphane Traditional Name: carbon monoxide; 2,2-dimethyl-1-phenyl-propan-1-one; 4-methylphenolate; ruthenium(2+); triphenylphosphine Formula: C55H50O3P2Ru MolecularWeight: 922.001222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[O-].CC(C)(C)C(=O)C1=C[C-]=CC=C1.[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.[Ru+2]

Isomeric SMILES

CC1=CC=C(C=C1)[O-].CC(C)(C)C(=O)C1=C[C-]=CC=C1.[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.[Ru+2]

InChI

InChI=1S/2C18H15P.C11H13O.C7H8O.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;1-11(2,3)10(12)9-7-5-4-6-8-9;1-6-2-4-7(8)5-3-6;1-2;/h2*1-15H;4-5,7-8H,1-3H3;2-5,8H,1H3;;/q;;-1;;;+2/p-1