Aluminum Tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate)

11671 Yellow
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-, aluminum complex
Aluminum indigo carmine
Aluminum, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex
BC Yellow 4 Al
BC Yellow 5 Al
C 69-4537
C.I. 19140 Aluminum Lake
C.I. 19140:1
C.I. Food Yellow 4 Aluminum Lake
C.I. Food Yellow 4:1
C.I. Pigment Yellow 100
Certolake Tartrazine
Certolake Tartrazol Yellow
D&C Yellow 5 Aluminum Lake
FD and C Yellow No. 5 Aluminum Lake
FD&C Yellow #5 Aluminum Lake
FD&C Yellow 5 Lake
FD&C Yellow No. 5 Aluminum Lake
Food Yellow No. 4 aluminum lake
Japan Food Yellow No. 4 aluminum lake
Japan Yellow 4 aluminum lake
Lakolene B 3014
Neelicert FD&C Yellow 5 Al Lake
Pigment Yellow 100
Tartrazine aluminum lake
Yellow 5 Lake
Yellow Lake T
Yellow No. 4 aluminum lake
Yellow No. 5 aluminum lake

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WNVDZDLVUGYYKK-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string	InChI=1S/3C16H12N4O9S2.Al/c321-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h31-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3
IUPAC name chemrof:IUPAC_name	Aluminum Tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate)
Molecular formula chemrof:molecular_formula	C48H33AlN12O27S6
Molecular mass chemrof:molecular_mass	1429.233
Monoisotopic mass chemrof:monoisotopic_mass	1427.971773
SMILES string chemrof:smiles_string	O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]

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=12225-21-7	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
597abc6d-36ba-435d-9d50-b8e2efa8b1f5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
190a4c24-7f21-419b-a2bf-b5494cacf067	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c5f1ec9c-b34f-4206-ba12-68d38bd9611e	Environmental → Air → Indoor	EF 3.1	kg	2
dcbc9666-0234-4014-8ee9-91933a6ccb0d	Environmental → Air → Long-term	EF 3.1	kg	0
2248c60d-e858-4cd7-ae38-9a0f5e7cac19	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
dba06d7c-a5f5-4227-a92b-5369f52c5f6a	Environmental → Air → Unknown	EF 3.1	kg	2
6babdd71-6199-4a7d-96bd-c5e4bd09d6ec	Environmental → Ground → Agricultural	EF 3.1	kg	2
56110720-6a49-4a14-ab29-1ae234fd5c6e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6159f096-b0b9-4af0-b84d-b8f2b6300806	Environmental → Ground → Unknown	EF 3.1	kg	2
dc984872-c767-41c4-9fbe-5cc6a70e0b4c	Environmental → Water → Long-term	EF 3.1	kg	0
31b8359b-3294-4720-9740-f310024ced36	Environmental → Water → Ocean	EF 3.1	kg	2
cfe4fb84-eefa-4ec7-ab55-c3f675475ed1	Environmental → Water → Surface water	EF 3.1	kg	2
50db5ed1-2d86-474e-b6b2-15d7df223d12	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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      "attested_by": {
        "O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/3C16H12N4O9S2.Al/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h3*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Aluminum Tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/3C16H12N4O9S2.Al/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h3*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "WNVDZDLVUGYYKK-UHFFFAOYSA-K"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]"
        ]
      },
      "attested_by": {
        "WNVDZDLVUGYYKK-UHFFFAOYSA-K": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C48H33AlN12O27S6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]"
        ]
      },
      "attested_by": {
        "C48H33AlN12O27S6": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        1429.233
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]"
        ]
      },
      "attested_by": {
        "1429.233": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        1427.971773
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]"
        ]
      },
      "attested_by": {
        "1427.971773": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=12225-21-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "12225-21-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "190a4c24-7f21-419b-a2bf-b5494cacf067",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "12225-21-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=12225-21-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=12225-21-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "235-428-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=235-428-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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

Aluminum Tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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