carbon monoxide; ruthenium; tricyclohexylphosphane; trihydrate

Systemtic Name: carbon monoxide; ruthenium; tricyclohexylphosphane; trihydrate Openeye Name: carbon monoxide; ruthenium; tricyclohexylphosphane; trihydrate CAS Name: carbon monoxide; ruthenium; tricyclohexylphosphine; trihydrate IUPAC Name: carbon monoxide; ruthenium; tricyclohexylphosphane; trihydrate Traditional Name: carbon monoxide; ruthenium; tricyclohexylphosphine; trihydrate Formula: C76H138O7P4Ru4 MolecularWeight: 1692.079764

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.O.O.O.[Ru].[Ru].[Ru].[Ru]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.O.O.O.[Ru].[Ru].[Ru].[Ru]

InChI

InChI=1S/4C18H33P.4CO.3H2O.4Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;;;;;;;/h4*16-18H,1-15H2;;;;;3*1H2;;;;