Sodium 4-isopropylbenzenesulfonate
Everything that changed this flow. Back to the flow
aa458390-bb1d-4bfa-b820-5cc460f0d528
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=sodium4-isopropylbenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15763-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f71027c710e889b: {'15763-76-5': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['15763-76-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[23679813, 88079071]; selected_pubchem_cids=[88079071]; 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 |
|---|---|---|---|---|---|
| 19,800 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 4-isopropylbenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Bootstrapped prefLabel from legacy name field |
| 19,801 | bootstrap_labels | name | sodium 4-isopropylbenzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 19,802 | bootstrap_labels | synonyms | ["organic","sodiump-cumenesulphonate","na-cumolsulfonat","na-cumosulfonat"] | [] | Removed legacy synonyms field in favor of structured labels |
| 151,084 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 151,085 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 219,773 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,590 | normalize_name_case | prefLabel | [{"@value":"sodium 4-isopropylbenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | [{"@value":"Sodium 4-isopropylbenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,547 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12NaO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,548 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,549 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=15763-76-5","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['15763-76-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[23679813, 88079071]; selected_pubchem_cids=[88079071]; 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 |
| 253,610 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12NaO3S… | rdkit_pre_consensus from 'CC(C)C1=CC=C(C=C1)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,809 | consensus_match | altLabel | [] | [{"@value":"<em>p</em>-Cumenesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=sodium4-isopropylbenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=15763-76-5; added Common Chemistry CAS names as altLabel: <em>p</em>-Cumenesulfonic acid, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt, Benzenesulfonic acid, 4-(1-methylethyl)-, sodium salt (1:1), Sodium <em>p</em>-cumenesulfonate, Sodium <em>p</em>-isopropylbenzenesulfonate; object_uuid=fo-5f71027c710e889b |
| 271,810 | consensus_match | cas_match_labels | — | {"15763-76-5":"exactMatch"} | group_key=sodium4-isopropylbenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15763-76-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5f71027c710e889b: {'15763-76-5': 'exactMatch'} |
| 278,826 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12NaO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 4-isopropylbenzenesulfonate' |
| 285,623 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H12NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H11NaO3S… | rdkit_post_consensus from 'CC(C)c1ccc(S(=O)(=O)[O-])cc1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,163 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H11NaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H11NaO3S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 293,056 | dedupe_altlabels | altLabel | [{"@value":"<em>p</em>-Cumenesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"p-Cumenesulfonic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Deduplicated altLabel values and removed entries matching prefLabel |
| 356,564 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/aa458390-bb1d-… | associations resolved on the elementary layer |
| 402,047 | 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/20260821T1554374006150000/19800 | prefLabel | ef:agent/bootstrap_labels | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v0 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v1 |
| ef:activity/change/20260821T1554374006150000/19801 | name | ef:agent/bootstrap_labels | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v1 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v2 |
| ef:activity/change/20260821T1554374006150000/19802 | synonyms | ef:agent/bootstrap_labels | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v2 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v3 |
| ef:activity/change/20260821T1554374006150000/151084 | context | ef:agent/default_context_mapping | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v3 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v4 |
| ef:activity/change/20260821T1554374006150000/151085 | context_iri | ef:agent/default_context_mapping | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v4 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v5 |
| ef:activity/change/20260821T1554374006150000/219773 | unit_iri | ef:agent/unit_normalization | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v5 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v6 |
| ef:activity/change/20260821T1554374006150000/225590 | prefLabel | ef:agent/normalize_name_case | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v6 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v7 |
| ef:activity/change/20260821T1554374006150000/245547 | properties | ef:agent/enrich_references | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v7 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v8 |
| ef:activity/change/20260821T1554374006150000/245548 | skos_definition | ef:agent/enrich_references | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v8 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v9 |
| ef:activity/change/20260821T1554374006150000/245549 | references | ef:agent/enrich_references | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v9 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v10 |
| ef:activity/change/20260821T1554374006150000/253610 | properties | ef:agent/rdkit_pre_consensus | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v10 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v11 |
| ef:activity/change/20260821T1554374006150000/271809 | altLabel | ef:agent/consensus_match | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v11 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v12 |
| ef:activity/change/20260821T1554374006150000/271810 | cas_match_labels | ef:agent/consensus_match | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v12 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v13 |
| ef:activity/change/20260821T1554374006150000/278826 | properties | ef:agent/opsin_iupac | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v13 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v14 |
| ef:activity/change/20260821T1554374006150000/285623 | properties | ef:agent/rdkit_post_consensus | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v14 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v15 |
| ef:activity/change/20260821T1554374006150000/287163 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v15 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v16 |
| ef:activity/change/20260821T1554374006150000/293056 | altLabel | ef:agent/dedupe_altlabels | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v16 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v17 |
| ef:activity/change/20260821T1554374006150000/356564 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v17 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v18 |
| ef:activity/change/20260821T1554374006150000/402047 | types | ef:agent/link_flows_to_their_substance | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v18 | ef:flow/aa458390-bb1d-4bfa-b820-5cc460f0d528/v19 |