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Tributylstannyl Benzoate

fo-6dac5c9b09693672

Identity

Type
Neutral molecule
CAS
4342-36-3
EC
224-399-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tributylstannyl Benzoate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JUEAPPHORMOWPK-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
IUPAC name chemrof:IUPAC_name Tributylstannyl Benzoate
Molecular formula chemrof:molecular_formula C19H32O2Sn
Molecular mass chemrof:molecular_mass 411.174
Monoisotopic mass chemrof:monoisotopic_mass 412.142425
SMILES string chemrof:smiles_string CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[O]C(=O)c1ccccc1

Known URLs

8

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=4342-36-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.182 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5034981 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=221308 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D2156SHC1D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16682834 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21885187 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27275993 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ff61487e-3938-40af-ab26-a511720a5a23 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
44894fc7-5b46-47f5-aca0-07fb09201ebb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
411ae79e-6e58-4e09-ad0c-c00bcd2d379c Environmental → Air → Indoor EF 3.1 kg 2
f6e8c2b1-f117-411a-9ac6-a5fafb7e1f1f Environmental → Air → Long-term EF 3.1 kg 0
ce7b617b-3e9b-4bf6-bc16-5db295ac6852 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6c8e5b9a-98db-44a0-a07c-dfe4b34ec475 Environmental → Air → Unknown EF 3.1 kg 2
fe0623b2-29c5-4f87-ae3a-68cad4c7b64d Environmental → Ground → Agricultural EF 3.1 kg 2
97582b60-0b93-48c2-9520-388265441c66 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fa13d578-7986-4676-83ad-cb37f6684ca7 Environmental → Ground → Unknown EF 3.1 kg 2
ef93f018-e3f5-4b9c-b964-fe2eb267e5c3 Environmental → Water → Long-term EF 3.1 kg 0
da4c16f9-7ea6-400a-989e-ea30bc720ece Environmental → Water → Ocean EF 3.1 kg 2
c814ba05-420f-4622-b01e-c0bd3785930d Environmental → Water → Surface water EF 3.1 kg 2
308cf02d-5f52-48bc-9d56-de9fd291707f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6dac5c9b09693672",
  "prefLabel": [
    {
      "@value": "Tributylstannyl Benzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Benzoyloxy)tributylstannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4342-36-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4342-36-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Benzoyloxy)tributyltin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4342-36-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4342-36-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, tributylstannyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4342-36-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stannane, (benzoyloxy)tributyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=4342-36-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tin, (benzoyloxy)tributyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tri-n-butyltin benzoate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Tributyltin benzoate",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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