(Q82238793)

English

7232-54-4

chemical compound

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Statements

group of stereoisomers

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chemical compound

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1,272.2857334721803 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₆H₇₆Cu₄N₈O₁₀²⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC2=CNCCC(O)CCNC=C3C=C(C)C=C(/C=N\CCC(O)CC/N=C\C(=C1)C2=O)C3=O.CC1=CC2=CNCCC(O)CCNC=C3C=C(C)C=C(/C=N\CCC(O)CC/N=C\C(=C1)C2=O)C3=O.O.O.[Cu+].[Cu+].[Cu].[Cu]

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CC1=CC2=CNCCC(O)CCNC=C3C=C(C)C=C(/C=N\CCC(O)CC/N=C\C(=C1)C2=O)C3=O.CC1=CC2=CNCCC(O)CCNC=C3C=C(C)C=C(/C=N\CCC(O)CC/N=C\C(=C1)C2=O)C3=O.O.O.[Cu+].[Cu+].[Cu].[Cu]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/2C28H36N4O4.4Cu.2H2O/c2*1-19-11-21-15-29-7-3-25(33)5-9-31-17-23-13-20(2)14-24(28(23)36)18-32-10-6-26(34)4-8-30-16-22(12-19)27(21)35;;;;;;/h2*11-18,25-26,29,31,33-34H,3-10H2,1-2H3;;;;;2*1H2/q;;;;2*+1;;/b2*21-15?,23-17?,30-16-,32-18-;;;;;;

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PEBDVIAXPKGRSV-LIGJFVHCSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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