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2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

fo-2ebf3bb6c99f1232

Identity

Type
Neutral molecule
CAS
57583-34-3
EC
260-828-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ACRNSUGLVQJCOM-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3
IUPAC name chemrof:IUPAC_name 2-[[bis[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]-methyl-stannyl]thio]acetic acid 2-ethylhexyl ester, 2-[[bis[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-methylstannyl]thio]acetic acid 2-ethylhexyl ester, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl]-methyl-stannyl]sulfanylethanoate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanyl]-methyl-stannyl]sulfanylacetate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate
Molecular formula chemrof:molecular_formula C31H60O6S3Sn
Molecular mass chemrof:molecular_mass 743.727
Monoisotopic mass chemrof:monoisotopic_mass 744.257397
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC

Known URLs

5

Where 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=57583-34-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.055.280 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4028042 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94580 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72491719 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2e101db4-9361-4916-9d4d-323d36773105 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e4944d40-a689-4532-a008-a8a623a2db9f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7d1ac326-0eb7-4e43-a8eb-1f980bfb2b62 Environmental → Air → Indoor EF 3.1 kg 4
c63f9e3a-9327-435d-8dac-194c33c46c72 Environmental → Air → Long-term EF 3.1 kg 0
be435e76-dd77-43a0-a0c4-937c30e54ca9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
89f502fc-d34a-4a00-a9f2-f02c8675eea8 Environmental → Air → Unknown EF 3.1 kg 4
6894a5b2-398c-4677-80ae-82bc1e2205ba Environmental → Ground → Agricultural EF 3.1 kg 4
083581b9-0a86-40cb-8be3-4c293783ea7b Environmental → Ground → Non-agricultural EF 3.1 kg 4
0c8cf306-c381-424f-9ed4-fa3e3b1339f2 Environmental → Ground → Unknown EF 3.1 kg 4
3f861c4e-8a9d-4b77-911d-1522eadfd775 Environmental → Water → Long-term EF 3.1 kg 0
874cb0c4-2228-448a-9e96-9f937e7c22b5 Environmental → Water → Ocean EF 3.1 kg 4
64d560ff-b979-4617-8671-e90f38f16f42 Environmental → Water → Surface water EF 3.1 kg 4
45509b9f-a3d9-45e1-8b3b-4ed402891362 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2ebf3bb6c99f1232",
  "prefLabel": [
    {
      "@value": "2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=57583-34-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltin tris(2-ethylhexyl mercaptoacetate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methyltin tris(2-ethylhexyl thioglycolate)",
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    },
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      "@value": "Monomethyltin tris(2-ethylhexyl mercaptoacetate)",
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        "2-[[bis[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-methylstannyl]thio]acetic acid 2-ethylhexyl ester",
        "2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl]-methyl-stannyl]sulfanylethanoate",
        "2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanyl]-methyl-stannyl]sulfanylacetate",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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