copper; copper(1+); 4-[[2-oxidanyl-3-(4-oxidanylidenepent-2-en-2-ylamino)propyl]amino]pent-3-en-2-one; hexahydrate

Systemtic Name: copper; copper(1+); 4-[[2-oxidanyl-3-(4-oxidanylidenepent-2-en-2-ylamino)propyl]amino]pent-3-en-2-one; hexahydrate Openeye Name: dicuprous; copper; 4-[[2-hydroxy-3-[(1-methyl-3-oxo-but-1-enyl)amino]propyl]amino]pent-3-en-2-one; hexahydrate CAS Name: copper; copper(1+); 4-[[2-hydroxy-3-(4-oxopent-2-en-2-ylamino)propyl]amino]-3-penten-2-one; hexahydrate IUPAC Name: copper; copper(1+); 4-[[2-hydroxy-3-(4-oxopent-2-en-2-ylamino)propyl]amino]pent-3-en-2-one; hexahydrate Traditional Name: dicuprous; copper; 4-[[2-hydroxy-3-[(3-keto-1-methyl-but-1-enyl)amino]propyl]amino]pent-3-en-2-one; hexahydrate Formula: C78H144Cu14N12O24+2 MolecularWeight: 2523.68796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.O.O.O.O.O.O.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu+].[Cu+]

Isomeric SMILES

CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.CC(=CC(=O)C)NCC(CNC(=CC(=O)C)C)O.O.O.O.O.O.O.[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu].[Cu+].[Cu+]

InChI

InChI=1S/6C13H22N2O3.14Cu.6H2O/c6*1-9(5-11(3)16)14-7-13(18)8-15-10(2)6-12(4)17;;;;;;;;;;;;;;;;;;;;/h6*5-6,13-15,18H,7-8H2,1-4H3;;;;;;;;;;;;;;;6*1H2/q;;;;;;;;;;;;;;;;;;2*+1;;;;;;