Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}

Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1)
Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DJWVWXXAUZOCHO-UHFFFAOYSA-N, OTLKEWOVEAZDMR-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/2C17H13ClN2O4S.Ba/c21-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h22-9,21H,1H3,(H,22,23,24);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name	Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}
Molecular formula chemrof:molecular_formula	C34H24BaCl2N4O8S2, C34H26BaCl2N4O8S2
SMILES string chemrof:smiles_string	Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+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=73612-34-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.070.482	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90891080	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/136075924	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/164608421	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82870700	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
aa8ae803-f296-4aa2-ac82-16d960a46ff5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
fb70fe87-9166-4d05-ad0b-96da3ce3f476	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
54d4110b-b823-4b9f-abb1-aed232a4c8a7	Environmental → Air → Indoor	EF 3.1	kg	4
13c4c7a1-03cd-40a2-8f37-ce036fc81fd3	Environmental → Air → Long-term	EF 3.1	kg	0
0e27fc72-7dfe-43a3-951c-cfc2ce9706e9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
15e04f88-bcd0-468a-ad1b-29e60572cc20	Environmental → Air → Unknown	EF 3.1	kg	4
c85617cb-2e5c-4f34-aac7-aee1c08e936c	Environmental → Ground → Agricultural	EF 3.1	kg	4
1061be75-6a58-4e5e-84e8-2d10d06419a6	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3ed6edc0-2d67-4b61-b098-e575be4a5531	Environmental → Ground → Unknown	EF 3.1	kg	4
3602d911-648b-46ad-820c-99546329d3d0	Environmental → Water → Long-term	EF 3.1	kg	0
edf44e61-17bb-4f05-9335-e4c5f9350149	Environmental → Water → Ocean	EF 3.1	kg	4
7e6aec17-4fea-4d89-ab05-e8aad65e65ca	Environmental → Water → Surface water	EF 3.1	kg	4
f92ef135-7e99-4dd8-8095-c1a1c075d23a	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-3838d53a90cb0421",
  "prefLabel": [
    {
      "@value": "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}",
      "@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": "Benzenesulfonic acid, 4-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-5-methyl-, barium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73612-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73612-34-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C34H24BaCl2N4O8S2",
        "C34H26BaCl2N4O8S2"
      ],
      "attested_by": {
        "C34H24BaCl2N4O8S2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C34H26BaCl2N4O8S2": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:136075924",
            "CID:164608421"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DJWVWXXAUZOCHO-UHFFFAOYSA-N",
        "OTLKEWOVEAZDMR-UHFFFAOYSA-L"
      ],
      "attested_by": {
        "DJWVWXXAUZOCHO-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "OTLKEWOVEAZDMR-UHFFFAOYSA-L": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:136075924",
            "CID:164608421"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+2]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+2]"
          ]
        }
      ],
      "attested_by": {
        "Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+2]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)ccc3ccccc23)cc1Cl.[Ba+2]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}"
        ]
      },
      "attested_by": {
        "Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.070.482",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "73612-34-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90891080",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/136075924",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73612-34-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/164608421",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:164608421;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[73612-34-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82870700",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136075924;CAS:73612-34-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[73612-34-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0e27fc72-7dfe-43a3-951c-cfc2ce9706e9",
    "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": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "73612-34-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=73612-34-7"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "277-553-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=277-553-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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

Barium Bis{4-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-5-methylbenzenesulfonate}

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard