2,2-dimethylpropanoate; [2-(2-diphenylphosphanyl-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphane; ruthenium(2+)

Systemtic Name: 2,2-dimethylpropanoate; [2-(2-diphenylphosphanyl-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphane; ruthenium(2+) Openeye Name: 2,2-dimethylpropanoate; [2-(2-diphenylphosphanyl-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphane; ruthenium(2+) CAS Name: 2,2-dimethylpropanoate; [2-(2-diphenylphosphino-6-methylphenyl)-3-methylphenyl]-diphenylphosphine; ruthenium(2+) IUPAC Name: 2,2-dimethylpropanoate; [2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane; ruthenium(2+) Traditional Name: 2,2-dimethylpropionate; [2-(2-diphenylphosphino-6-methyl-phenyl)-3-methyl-phenyl]-diphenyl-phosphine; ruthenium(2+) Formula: C48H50O4P2Ru MolecularWeight: 853.925722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Ru+2]

Isomeric SMILES

CC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Ru+2]

InChI

InChI=1S/C38H32P2.2C5H10O2.Ru/c1-29-17-15-27-35(39(31-19-7-3-8-20-31)32-21-9-4-10-22-32)37(29)38-30(2)18-16-28-36(38)40(33-23-11-5-12-24-33)34-25-13-6-14-26-34;2*1-5(2,3)4(6)7;/h3-28H,1-2H3;2*1-3H3,(H,6,7);/q;;;+2/p-2