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4-isopropylbenzenesulfonic Acid

2D structure
UUID ccbf43c6-1108-4dd0-abbb-e9a3cbfbf1e6
Deprecated yes
Replaced By db73254a-fcad-47df-97d5-2447603f5aaf
Flow Object IDfo-c82c2ebf53b901e7
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 16066-35-6
EC Numbers 240-210-1
prefLabel
Language Value Provenance
en 4-isopropylbenzenesulfonic Acid
altLabel ⓘ
Language Value Provenance
en 4-propan-2-ylbenzenesulonic acid
en 4-(1-Methylethyl)benzenesulfonic acid
en <em>p</em>-Cumenesulfonic acid
en <em>p</em>-Isopropylbenzenesulfonic acid
en Benzenesulfonic acid, 4-(1-methylethyl)-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CVLHGLWXLDOELD-UHFFFAOYSA-N
InChI InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)
IUPAC name 4-isopropylbenzenesulfonic acid, 4-isopropylbesylic acid, 4-propan-2-ylbenzenesulfonic acid
Molecular formula C9H12O3S
Molecular mass 200.259
Monoisotopic mass 200.050715, 200.05072
SMILES CC(C)C1=CC=C(C=C1)S(=O)(=O)O, CC(C)c1ccc(S(=O)(=O)O)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ccbf43c6-1108-4dd0-abbb-e9a3cbfbf1e6 4-isopropylbenzenesulfonic acid

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=4-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=16066-35-6; added Common Chemistry CAS names as altLabel: 4-(1-Methylethyl)benzenesulfonic acid, <em>p</em>-Cumenesulfonic acid, <em>p</em>-Isopropylbenzenesulfonic acid, Benzenesulfonic acid, 4-(1-methylethyl)-; object_uuid=fo-c82c2ebf53b901e7
cas_match_labels 1 — consensus_match group_key=4-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'16066-35-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c82c2ebf53b901e7: {'16066-35-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '4-propan-2-ylbenzenesulonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-propan-2-ylbenzenesulonic acid', 'http://purl.obolibrary.org/obo/CHEBI_173469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-propan-2-ylbenzenesulonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-propan-2-ylbenzenesulonic acid', 'http://purl.obolibrary.org/obo/CHEBI_173469', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(1-Methylethyl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:16066-35-6', 'https://commonchemistry.cas.org/detail?cas_rn=16066-35-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Cumenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:16066-35-6', 'https://commonchemistry.cas.org/detail?cas_rn=16066-35-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Isopropylbenzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:16066-35-6', 'https://commonchemistry.cas.org/detail?cas_rn=16066-35-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(1-methylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:16066-35-6', 'https://commonchemistry.cas.org/detail?cas_rn=16066-35-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=16066-35-6; added Common Chemistry CAS names as altLabel: 4-(1-Methylethyl)benzenesulfonic acid, <em>p</em>-Cumenesulfonic acid, <em>p</em>-Isopropylbenzenesulfonic acid, Benzenesulfonic acid, 4-(1-methylethyl)-; object_uuid=fo-c82c2ebf53b901e7
cas_match_labels None {'16066-35-6': 'exactMatch'} group_key=4-isopropylbenzenesulfonicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'16066-35-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c82c2ebf53b901e7: {'16066-35-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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