Sulcotrione

UUID 0db3061c-d66d-441d-953c-d4ac60059e60

Flow Object ID fo-f7b37bff026da9c3

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

CAS Numbers 99105-77-8

prefLabel

Language	Value	Provenance
`en`	`Sulcotrione`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione`
`en`	`1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-`
`en`	`2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione`
`en`	`Chlormesulone`
`en`	`ICI-A 0051`
`en`	`Mikado`
`en`	`SC 0051`

Definitions

Language	Value	Provenance
`en`	An aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`PQTBTIFWAXVEPB-UHFFFAOYSA-N`
InChI	`InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3`
IUPAC name	`2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylcyclohexane-1,3-dione, 2-(2-chloro-4-mesyl-benzoyl)cyclohexane-1,3-quinone, 2-(2-chloro-4-methylsulfonyl-benzoyl)cyclohexane-1,3-dione, 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione, 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione`
Molecular formula	`C14H13ClO5S`
Molecular mass	`328.773`
Monoisotopic mass	`328.01722`
SMILES	`CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl, CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`0db3061c-d66d-441d-953c-d4ac60059e60`	sulcotrione

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	sulcotrione	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	kg	`exactMatch`	—

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=sulcotrione\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=99105-77-8; added Common Chemistry CAS names as altLabel: 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-, 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione, Chlormesulone, ICI-A 0051, Mikado, SC 0051; object_uuid=fo-f7b37bff026da9c3
`cas_match_labels`	1	`—`	consensus_match	group_key=sulcotrione\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'99105-77-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f7b37bff026da9c3: {'99105-77-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`[{'@value': '2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_83465', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]`	[{'@value': '2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione', 'http://purl.obolibrary.org/obo/CHEBI_83465', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99105-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=99105-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99105-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=99105-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chlormesulone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99105-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=99105-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ICI-A 0051', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99105-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=99105-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mikado', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99105-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=99105-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SC 0051', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99105-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=99105-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=sulcotrione\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=99105-77-8; added Common Chemistry CAS names as altLabel: 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-, 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione, Chlormesulone, ICI-A 0051, Mikado, SC 0051; object_uuid=fo-f7b37bff026da9c3
`cas_match_labels`	`None`	`{'99105-77-8': 'exactMatch'}`	group_key=sulcotrione\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'99105-77-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f7b37bff026da9c3: {'99105-77-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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