Dbedc
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Basic Info
| Common Name | Dbedc(F05728) |
| 2D Structure | |
| FRCD ID | F05728 |
| CAS Number | 61607-82-7 |
| PubChem CID | 182302 |
| Formula | C40H74CuN4O6S2 |
| IUPAC Name | copper;4-dodecylbenzenesulfonate;ethane-1,2-diamine |
| InChI Key | PZSIFLLRHQZAKV-UHFFFAOYSA-L |
| InChI | InChI=1S/2C18H30O3S.2C2H8N2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;2*3-1-2-4;/h2*13-16H,2-12H2,1H3,(H,19,20,21);2*1-4H2;/q;;;;+2/p-2 |
| Canonical SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C(CN)N.C(CN)N.[Cu+2] |
| Isomeric SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C(CN)N.C(CN)N.[Cu+2] |
| Synonyms |
DTXSID80210625
DBEDC
61607-82-7
AC1L4AOZ
copper; 4-dodecylbenzenesulfonate; ethane-1,2-diamine
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic transition metal salt - Amine - Organic salt - Organic copper salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 834.72 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 24 |
| Complexity | 344 |
| Monoisotopic Mass | 833.435 |
| Exact Mass | 833.435 |
| Formal Charge | 0 |
| Heavy Atom Count | 53 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 5 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Quince | Japan | 0.5ppm | |||
| Pear | Japan | 0.5ppm | |||
| Asparagus | Japan | 0.5ppm | |||
| Nira | Japan | 0.5ppm | |||
| Garlic | Japan | 0.5ppm | |||
| Onion | Japan | 0.5ppm | |||
| Japanese Pear | Japan | 0.5ppm | |||
| Lettuce(Including Cos Lettuce And Leaf Lettuce) | Japan | 0.5ppm | |||
| Other Spices | Japan | 20ppm | |||
| Hop | Japan | 0.5ppm | |||
| Cacao Beans | Japan | 0.5ppm | |||
| Coffee Beans | Japan | 0.5ppm | |||
| Tea | Japan | 0.5ppm | |||
| Other Nuts | Japan | 0.5ppm | |||
| Walnut | Japan | 0.5ppm | |||
| Almond | Japan | 0.5ppm | |||
| Pecan | Japan | 0.5ppm | |||
| Chestnut | Japan | 0.5ppm | |||
| Ginkgo Nut | Japan | 0.5ppm | |||
| Other Oil Seeds | Japan | 0.5ppm |