benzoic acid; copper; 1-(2-diphenylphosphanylphenyl)-4,4-dimethyl-pentane-1,3-dione

Systemtic Name: benzoic acid; copper; 1-(2-diphenylphosphanylphenyl)-4,4-dimethyl-pentane-1,3-dione Openeye Name: benzoic acid; copper; 1-(2-diphenylphosphanylphenyl)-4,4-dimethyl-pentane-1,3-dione CAS Name: benzoic acid; copper; 1-(2-diphenylphosphinophenyl)-4,4-dimethylpentane-1,3-dione IUPAC Name: benzoic acid; copper; 1-(2-diphenylphosphanylphenyl)-4,4-dimethylpentane-1,3-dione Traditional Name: benzoic acid; copper; 1-(2-diphenylphosphinophenyl)-4,4-dimethyl-pentane-1,3-dione Formula: C57H56Cu2O6P2 MolecularWeight: 1026.090462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O.[Cu].[Cu]

Isomeric SMILES

CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O.[Cu].[Cu]

InChI

InChI=1S/2C25H25O2P.C7H6O2.2Cu/c2*1-25(2,3)24(27)18-22(26)21-16-10-11-17-23(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20;8-7(9)6-4-2-1-3-5-6;;/h2*4-17H,18H2,1-3H3;1-5H,(H,8,9);;