Propanoic Acid, 3,3' [(dibutylstannylene) Bis(thio)]bis-, Diisotridecylester
fo-5bea0cc16e553c8f
Identity
- Type
- Neutral molecule
- CAS
- 84896-44-6
- EC
- 284-461-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
![Structure diagram for Propanoic Acid, 3,3' [(dibutylstannylene) Bis(thio)]bis-, Diisotridecylester](/flow-objects/fo-5bea0cc16e553c8f/structure.svg)
Alternative labels
2- Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, 1,1′-diisotridecyl ester
- Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, diisotridecyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZVPIONMDWKYASL-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C16H32O2S.2C4H9.Sn/c2*1-15(2)11-9-7-5-3-4-6-8-10-13-18-16(17)12-14-19;2*1-3-4-2;/h2*15,19H,3-14H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2 |
| IUPAC name chemrof:IUPAC_name | Propanoic acid, 3,3′-[(dibutylstannylene)bis(thio)]bis-, 1,1′-diisotridecyl ester |
| Molecular formula chemrof:molecular_formula | C40H80O4S2Sn |
| Molecular mass chemrof:molecular_mass | 807.921 |
| Monoisotopic mass chemrof:monoisotopic_mass | 808.451998 |
| SMILES string chemrof:smiles_string | CCC[CH2][Sn]([CH2]CCC)([S]CCC(=O)OCCCCCCCCCCC(C)C)[S]CCC(=O)OCCCCCCCCCCC(C)C |
Known URLs
5Where 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=84896-44-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.076.755 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7074113 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9577822 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82002622 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3a415200-1c5f-49c3-b26c-3c1b2aef1962 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3cfd8a00-3444-486b-899b-9bcd0ac80ab3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| c3d227ec-a024-433d-b52e-0b6c9ef74327 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 789d2e88-5290-4991-bef1-760819901eb4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ec5178e8-6b63-4a46-a669-6e16ede6302e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 516a994d-a5bd-4302-9b04-983e746fc965 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f2da0a79-8e29-4eba-a268-366081efb0f3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 18ec91c9-863d-4efd-baa0-e23cc29437c9 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| ab425594-a189-4afc-8281-d27822f586aa | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3976515d-b6af-460a-9dea-1d1675c6bdb3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9ad07d84-0e0c-4792-a071-f45e4d9e551e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| cc297127-70df-453d-9ff9-478ba46e4282 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5d95ae85-b985-461c-acf2-4d8a814958be | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works