benzoic acid; copper; [2-(4,4-dimethyl-3-oxidanylidene-pentanoyl)phenyl]-diphenyl-phosphanium

Systemtic Name: benzoic acid; copper; [2-(4,4-dimethyl-3-oxidanylidene-pentanoyl)phenyl]-diphenyl-phosphanium Openeye Name: benzoic acid; copper; [2-(4,4-dimethyl-3-oxo-pentanoyl)phenyl]-diphenyl-phosphonium CAS Name: benzoic acid; copper; [2-(4,4-dimethyl-1,3-dioxopentyl)phenyl]-diphenylphosphonium IUPAC Name: benzoic acid; copper; [2-(4,4-dimethyl-3-oxopentanoyl)phenyl]-diphenylphosphanium Traditional Name: benzoic acid; copper; [2-(3-keto-4,4-dimethyl-pentanoyl)phenyl]-diphenyl-phosphonium Formula: C57H58Cu2O6P2+2 MolecularWeight: 1028.106342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1[PH+](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=C1[PH+](C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C(=O)CC(=O)C1=CC=CC=C1[PH+](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);;/p+2