2,6-ditert-butyl-4-methylidene-cyclohexa-2,5-dien-1-one; 2-diphenylphosphanylethyl(diphenyl)phosphane; palladium

Systemtic Name: 2,6-ditert-butyl-4-methylidene-cyclohexa-2,5-dien-1-one; 2-diphenylphosphanylethyl(diphenyl)phosphane; palladium Openeye Name: 2,6-ditert-butyl-4-methylene-cyclohexa-2,5-dien-1-one; 2-diphenylphosphanylethyl(diphenyl)phosphane; palladium CAS Name: 2,6-ditert-butyl-4-methylene-1-cyclohexa-2,5-dienone; 2-diphenylphosphinoethyl(diphenyl)phosphine; palladium IUPAC Name: 2,6-ditert-butyl-4-methylidenecyclohexa-2,5-dien-1-one; 2-diphenylphosphanylethyl(diphenyl)phosphane; palladium Traditional Name: 2,6-ditert-butyl-4-methylene-cyclohexa-2,5-dien-1-one; 2-diphenylphosphinoethyl(diphenyl)phosphine; palladium Formula: C41H46OP2Pd MolecularWeight: 723.170862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)C.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd]

Isomeric SMILES

CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)C.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd]

InChI

InChI=1S/C26H24P2.C15H22O.Pd/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;/h1-20H,21-22H2;8-9H,1H2,2-7H3;