but-3-enoic acid; carbon monoxide; ruthenium; triphenylphosphane

Systemtic Name: but-3-enoic acid; carbon monoxide; ruthenium; triphenylphosphane Openeye Name: but-3-enoic acid; carbon monoxide; ruthenium; triphenylphosphane CAS Name: 3-butenoic acid; carbon monoxide; ruthenium; triphenylphosphine IUPAC Name: but-3-enoic acid; carbon monoxide; ruthenium; triphenylphosphane Traditional Name: but-3-enoic acid; carbon monoxide; ruthenium; triphenylphosphine Formula: C48H42O8P2Ru2 MolecularWeight: 1010.929802

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)O.C=CCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[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].[Ru]

Isomeric SMILES

C=CCC(=O)O.C=CCC(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[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].[Ru]

InChI

InChI=1S/2C18H15P.2C4H6O2.4CO.2Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3-4(5)6;4*1-2;;/h2*1-15H;2*2H,1,3H2,(H,5,6);;;;;;