Methyl 8,8-dibutyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate
fo-de8024433e2afc28
Identity
- Type
- Neutral molecule
- CAS
- 15546-11-9
- EC
- 239-594-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
9- 2,7,9-Trioxa-8-stannatrideca-4,11-dien-13-oic acid, 8,8-dibutyl-3,6,10-trioxo-, methyl ester, (Z,Z)-
- 2-Butenedioic acid (2Z)-, 1,1′-(dibutylstannylene) 4,4′-dimethyl ester
- Dibutyltin bis(methyl maleate)
- Dibutyltin bis(monomethyl maleate)
- Dibutyltin methyl maleate
- Maleic acid, monomethyl ester, dibutylstannylene deriv.
- Stan-Guard 156
- Stannane, dibutylbis[(3-carboxyacryloyl)oxy]-, dimethyl ester, (Z,Z)-
- Tinstab BM 270
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | WNDWDJLPMLWBHW-UDVCPWNYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C5H6O4.2C4H9.Sn/c2*1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2*2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2, InChI=1S/2C5H6O4.2C4H9.Sn/c2*1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2*2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*3-2-;;; |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCC, CCC[CH2].CCC[CH2].COC(=O)/C=C\C(=O)[O-].COC(=O)/C=C\C(=O)[O-].[Sn+2] |
| IUPAC name chemrof:IUPAC_name | (Z)-2-butenedioic acid O4-[dibutyl-[(Z)-4-methoxy-1,4-dioxobut-2-enoxy]stannyl] ester O1-methyl ester, (Z)-but-2-enedioic acid O4-[dibutyl-[(Z)-4-keto-4-methoxy-but-2-enoyl]oxy-stannyl] ester O1-methyl ester, 4-O-[dibutyl-[(Z)-4-methoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-methyl (Z)-but-2-enedioate, O4-[dibutyl-[(Z)-4-methoxy-4-oxidanylidene-but-2-enoyl]oxy-stannyl] O1-methyl (Z)-but-2-enedioate, O4-[dibutyl-[(Z)-4-methoxy-4-oxo-but-2-enoyl]oxy-stannyl] O1-methyl (Z)-but-2-enedioate |
| Molecular formula chemrof:molecular_formula | C18H28O8Sn |
| Molecular mass chemrof:molecular_mass | 491.125 |
| Monoisotopic mass chemrof:monoisotopic_mass | 492.080613 |
| SMILES string chemrof:smiles_string | CCC[CH2][Sn]([CH2]CCC)([O]C(=O)C=CC(=O)OC)[O]C(=O)C=CC(=O)OC, COC(=O)C=CC(=O)[O-].COC(=O)C=CC(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2] |
Known URLs
8Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=15546-11-9 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.035.980 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9051747 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/89TR43ZG8V | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.328D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/101647502 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16683073 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q81984805 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6587ae19-40ed-4917-816f-05f6a105c2d6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b6e63ffc-2caa-4f22-a37d-71538b31b5e0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 0400dddd-41bb-4a71-b39f-9b6423b2d778 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| b0600f68-6be7-4545-a21f-eb66a7f13f19 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a65bb3f1-f244-4cc5-bdd2-752d70c98d64 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f60c00d5-09a5-4b1b-98e2-1d5bc187f6ec | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 3416024a-0597-4fe4-8581-e8f33ca49160 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| a833475c-925c-46fa-a712-318e0472bae3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 9b86c289-014d-48a0-84be-0426c37b8711 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 30769979-8eb0-4206-b51a-47b5252412df | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 90fc0cab-2c6b-44bf-9983-8296e19d0f42 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| db4ecc4f-a01f-4e85-81da-7d90dc582b5b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8f2874e6-890a-4081-9c83-a832367c2f5f | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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