carbon monoxide; 2-ethylhexanoate; ruthenium(1+); triphenylphosphane

Systemtic Name: carbon monoxide; 2-ethylhexanoate; ruthenium(1+); triphenylphosphane Openeye Name: carbon monoxide; 2-ethylhexanoate; ruthenium(1+); triphenylphosphane CAS Name: carbon monoxide; 2-ethylhexanoate; ruthenium(1+); triphenylphosphine IUPAC Name: carbon monoxide; 2-ethylhexanoate; ruthenium(1+); triphenylphosphane Traditional Name: carbon monoxide; 2-ethylhexanoate; ruthenium(1+); triphenylphosphine Formula: C45H45O3P2Ru MolecularWeight: 796.854522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[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.[Ru+]

Isomeric SMILES

CCCCC(CC)C(=O)[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.[Ru+]

InChI

InChI=1S/2C18H15P.C8H16O2.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;1-3-5-6-7(4-2)8(9)10;1-2;/h2*1-15H;7H,3-6H2,1-2H3,(H,9,10);;/q;;;;+1/p-1