Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate
Everything that changed this flow. Back to the flow
09943706-f246-491f-89fd-d673fc76b35d
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=disodium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'65212-76-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b9eb53d605018998: {'65212-76-2': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['65212-76-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[3017582, 135566017]; selected_pubchem_cids=[3017582, 135566017]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,652 | bootstrap_labels | prefLabel | — | [{"@value":"disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzene… | Bootstrapped prefLabel from legacy name field |
| 9,653 | bootstrap_labels | name | disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 9,654 | bootstrap_labels | synonyms | ["organic","disodium4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1h-pyrazol-4-yl]azo]benzenesulph… | [] | Removed legacy synonyms field in favor of structured labels |
| 42,252 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 42,253 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 216,546 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,357 | normalize_name_case | prefLabel | [{"@value":"disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzene… | [{"@value":"Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzene… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,404 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 236,405 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,406 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.344K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['65212-76-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[3017582, 135566017]; selected_pubchem_cids=[3017582, 135566017]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,967 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | rdkit_pre_consensus from 'CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)[O-])N=NC3=CC(=C(C=C3S(=O)(=O)[O-])Cl)Cl.[Na+].[Na+]'; added: molecular_mass, monoisotopic_mass |
| 266,367 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4… | group_key=disodium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Long-term; cas=65212-76-2; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]diazenyl]-, sodium salt (1:2), Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]azo]-, disodium salt; object_uuid=fo-b9eb53d605018998 |
| 266,368 | consensus_match | cas_match_labels | — | {"65212-76-2":"exactMatch"} | group_key=disodium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'65212-76-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-b9eb53d605018998: {'65212-76-2': 'exactMatch'} |
| 276,154 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate' |
| 282,734 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | rdkit_post_consensus from 'CC1=NN(c2cccc(S(=O)(=O)[O-])c2)C(=O)C1N=Nc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-].[Na+].[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,917 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10Cl2N… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,456 | dedupe_altlabels | altLabel | [{"@value":"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4… | [{"@value":"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diaze… | Deduplicated altLabel values and removed entries matching prefLabel |
| 302,151 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/09943706-f246-… | associations resolved on the elementary layer |
| 398,130 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260822T0600486828500000/9652 | prefLabel | ef:agent/bootstrap_labels | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v0 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v1 |
| ef:activity/change/20260822T0600486828500000/9653 | name | ef:agent/bootstrap_labels | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v1 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v2 |
| ef:activity/change/20260822T0600486828500000/9654 | synonyms | ef:agent/bootstrap_labels | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v2 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v3 |
| ef:activity/change/20260822T0600486828500000/42252 | context | ef:agent/default_context_mapping | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v3 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v4 |
| ef:activity/change/20260822T0600486828500000/42253 | context_iri | ef:agent/default_context_mapping | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v4 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v5 |
| ef:activity/change/20260822T0600486828500000/216546 | unit_iri | ef:agent/unit_normalization | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v5 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v6 |
| ef:activity/change/20260822T0600486828500000/223357 | prefLabel | ef:agent/normalize_name_case | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v6 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v7 |
| ef:activity/change/20260822T0600486828500000/236404 | properties | ef:agent/enrich_references | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v7 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v8 |
| ef:activity/change/20260822T0600486828500000/236405 | skos_definition | ef:agent/enrich_references | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v8 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v9 |
| ef:activity/change/20260822T0600486828500000/236406 | references | ef:agent/enrich_references | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v9 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v10 |
| ef:activity/change/20260822T0600486828500000/250967 | properties | ef:agent/rdkit_pre_consensus | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v10 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v11 |
| ef:activity/change/20260822T0600486828500000/266367 | altLabel | ef:agent/consensus_match | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v11 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v12 |
| ef:activity/change/20260822T0600486828500000/266368 | cas_match_labels | ef:agent/consensus_match | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v12 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v13 |
| ef:activity/change/20260822T0600486828500000/276154 | properties | ef:agent/opsin_iupac | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v13 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v14 |
| ef:activity/change/20260822T0600486828500000/282734 | properties | ef:agent/rdkit_post_consensus | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v14 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v15 |
| ef:activity/change/20260822T0600486828500000/286917 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v15 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v16 |
| ef:activity/change/20260822T0600486828500000/292456 | altLabel | ef:agent/dedupe_altlabels | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v16 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v17 |
| ef:activity/change/20260822T0600486828500000/302151 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v17 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v18 |
| ef:activity/change/20260822T0600486828500000/398130 | types | ef:agent/link_flows_to_their_substance | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v18 | ef:flow/09943706-f246-491f-89fd-d673fc76b35d/v19 |