Consensus flow list

Identity

Type
Molecular complex
CAS
85209-91-2
EC
286-344-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium;1,3,7,9-tetratert-butyl-11-oxido-5h-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MAZWCKFAMIYKKP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);
Molecular formula chemrof:molecular_formula C29H43NaO4P
Molecular mass chemrof:molecular_mass 509.623
Monoisotopic mass chemrof:monoisotopic_mass 509.279666
SMILES string chemrof:smiles_string CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)O.[Na]

Known URLs

2

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=85209-91-2 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/129893924 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
0d9f3dee-b7e1-4946-93e6-dea20800ca28 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9ef218ff-e2ef-4be3-b009-76e1f3097510 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2a058495-401d-4db6-8c3d-101f3ef714eb Environmental → Air → Indoor EF 3.1 kg 4
0261effd-ff92-4a13-be2e-cf2aeafa3f9c Environmental → Air → Long-term EF 3.1 kg 0
5fd82212-f294-4e06-a248-bd2bb4283a13 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3c3984de-a525-4766-bda5-46e84910f31b Environmental → Air → Unknown EF 3.1 kg 4
8f3a43c2-3017-4902-8e03-44af16f81d21 Environmental → Ground → Agricultural EF 3.1 kg 4
8d862f5a-751b-4c3a-a601-a3ac276b9ce3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1110f5a4-0c90-44be-83c8-d661313536ec Environmental → Ground → Unknown EF 3.1 kg 4
1176ed6b-884d-4c1a-a5dc-0db5ca42ddd6 Environmental → Water → Long-term EF 3.1 kg 0
5f484a02-e562-43b7-9916-851e12db6f5c Environmental → Water → Ocean EF 3.1 kg 4
dc51f32b-b7fb-4fa5-9235-4176f0a444de Environmental → Water → Surface water EF 3.1 kg 4
0ae0b9f3-ec5a-4716-9a3a-dece18c3d327 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7905d6d3a8f7804f",
  "prefLabel": [
    {
      "@value": "Sodium;1,3,7,9-tetratert-butyl-11-oxido-5h-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt",
      "@language": "en",
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    },
    {
      "@value": "12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt (1:1)",
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    },
    {
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    },
    {
      "@value": "2,4,8,10-Tetra(tert-butyl)-6-hydroxy-12H-dibenzo[d,g][1,3,2]dioxaphosphocin 6-oxide sodium salt",
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      "@value": "ADK Stab NA 27",
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      "@value": "Amfine NA 11",
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    {
      "@value": "Clearlite NU 011",
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      "@value": "NA 11UY",
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    },
    {
      "@value": "Sodium 2,2′-methylenebis(4,6-di-tert-butylphenyl) phosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Sodium 2,4,8,10-tetra-tert-butyl-12H-dibenzo[d,g] [1,3,2]dioxaphosphocin-6-olate-6-oxide",
      "@language": "en",
      "@lang": "en",
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C29H43NaO4P"
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MAZWCKFAMIYKKP-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);"
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    },
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      "rdfs:label": "Molecular mass",
      "@value": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        },
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          ]
        }
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
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  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=85209-91-2",
      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[85209-91-2]"
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    "seed_uuid": "0261effd-ff92-4a13-be2e-cf2aeafa3f9c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
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      "@value": [
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      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=85209-91-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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