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Fenbutatin oxide

fo-5449c0555f357a9d

Identity

Type
Neutral molecule
CAS
13356-08-6
EC
236-407-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Fenbutatin oxide

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

26

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HOXINJBQVZWYGZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
IUPAC name chemrof:IUPAC_name hexakis(2-methyl-2-phenylpropyl)distannoxane
Molecular formula chemrof:molecular_formula C60H78OSn2
Molecular mass chemrof:molecular_mass 1052.705
Monoisotopic mass chemrof:monoisotopic_mass 1054.409657, 1054.40966
SMILES string chemrof:smiles_string CC(C)([CH2][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[O][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[CH2]C(C)(C)c1ccccc1)c1ccccc1

Known URLs

17

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
beilstein beilstein:4097400 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=13356-08-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39294 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.083 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7032391 enrich_references.pubchem_identifier_url
gmelin gmelin:1585258 enrich_references.chebi_xrefs
gmelin gmelin:1825781 enrich_references.chebi_xrefs
gmelin gmelin:27103 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZSV4C2L4E7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031788 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J962H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C15435 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C15435 enrich_references.pubchem_identifier_url
ppdb ppdb:294 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16683004 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q1404581 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
c3971d89-a72e-4ea2-9353-5cc650cba906 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
152164e7-6250-4aa5-88d3-a9d26b3ad7ef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
606f6c13-3c4e-4c96-ad2d-44dcd8df0acd Environmental → Air → Indoor EF 3.1 kg 4
5e119eb7-1ae9-486e-8105-dd2357140357 Environmental → Air → Long-term EF 3.1 kg 0
68f4f630-f044-410d-b014-5b317dcfc374 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f3c13f71-aac2-45f2-9d52-b61867b17d44 Environmental → Air → Unknown EF 3.1 kg 4
19291bd8-a8d3-44ba-85a7-1ab08e8dd86b Environmental → Ground → Agricultural EF 3.1 kg 4
21603d51-7b09-4a25-bc08-1a386a26b631 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d559d2fd88a8ba6e349b3e88b7aafe6fa96d71ac Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
601c0548-96d3-40e9-8117-5b178334de1a Environmental → Ground → Unknown EF 3.1 kg 4
87634a65-fb08-4295-821c-371e1ddf72b1 Environmental → Water → Long-term EF 3.1 kg 0
06704150-4542-4a9b-9184-d6c8121c9072 Environmental → Water → Ocean EF 3.1 kg 4
0ece0cfc-beb3-474d-b59c-96c6c5c6069e Environmental → Water → Surface water EF 3.1 kg 4
fa1b69e4-af1a-4fb3-829d-7305c32ab6c0 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Distannoxane, 1,1,1,3,3,3-hexakis(2-methyl-2-phenylpropyl)-",
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    },
    {
      "@value": "Hexakis",
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      "@value": "hexakis(2-methyl-2-phenylpropyl)distannoxane",
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    },
    {
      "@value": "hexakis(beta,beta-dimethylphenethyl)distannoxane",
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    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neostanox",
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        ],
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      }
    },
    {
      "@value": "Osadan",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Partner",
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      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=13356-08-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Torque",
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    },
    {
      "@value": "Torque (pesticide)",
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          "https://commonchemistry.cas.org/detail?cas_rn=13356-08-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trineophyltin oxide",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=13356-08-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vendex",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Vendex 4 Liquid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vendex 4L",
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        ],
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C60H78OSn2"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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            "CC(C)([CH2][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[O][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[CH2]C(C)(C)c1ccccc1)c1ccccc1"
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        }
      ]
    },
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      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)([CH2][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[O][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[CH2]C(C)(C)c1ccccc1)c1ccccc1"
      ],
      "provenance": [
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          ]
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        "CC(C)([CH2][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[O][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[CH2]C(C)(C)c1ccccc1)c1ccccc1": [
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    },
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;"
      ],
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          "prov:hadPrimarySource": [
            "CC(C)([CH2][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[O][Sn]([CH2]C(C)(C)c1ccccc1)([CH2]C(C)(C)c1ccccc1)[CH2]C(C)(C)c1ccccc1)c1ccccc1"
          ]
        }
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}

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