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2,5-dihydrothiophene 1,1-dioxide

UUID 7337465d-b58b-4cae-b7f7-de297607bc5c
Flow Object IDfo-d2ed1462a10c594e
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 77-79-2
EC Numbers 201-059-7
prefLabel
Language Value Provenance
en 2,5-dihydrothiophene 1,1-dioxide
altLabel ⓘ
Language Value Provenance
en 2,5-Dihydro-1λ6-thiophene-1,1-dione
en 2,5-Dihydrothiophen-1,1-dioxide
en 2,5-Dihydrothiophene <em>S</em>,<em>S</em>-dioxide
en 2,5-Dihydrothiophene dioxide
en 2,5-Dihydrothiophene sulfone
en 3-Sulfolene
en Butadiene sulfone
en NSC 48532
en NSC 56373
en Sulfolene
en Sulpholene
en Thiophene, 2,5-dihydro-, 1,1-dioxide
en β-Sulfolene
References
Shared Properties
Predicate Value
InChIKey MBDNRNMVTZADMQ-UHFFFAOYSA-N, UKSZBOKPHAQOMP-UHFFFAOYSA-N, WOUWWZYKGYDVMI-PHFNMVBRSA-N
InChI InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;, InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20+,21-/m1/s1, InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
IUPAC name (5R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, (5R,8R,9S,10S,12S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-12-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, 2,5-dihydrothiophene 1,1-dioxide, bis(1,5-diphenyl-3-penta-1,4-dienone);palladium, bis(1,5-diphenylpenta-1,4-dien-3-one);palladium
Molecular formula C21H32O3, C34H28O2Pd, C4H6O2S
SMILES C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd], C1C=CCS1(=O)=O, CC(=O)C1CCC2C1(C(CC3C2CCC4C3(CCC(=O)C4)C)O)C, CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7337465d-b58b-4cae-b7f7-de297607bc5c 2,5-dihydrothiophene 1,1-dioxide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,5-dihydrothiophene 1,1-dioxide Emissions/Emissions to water/Emissions to sea water 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=2,5-dihydrothiophene1,1-dioxide||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=77-79-2; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-1λ6-thiophene-1,1-dione, 2,5-Dihydrothiophen-1,1-dioxide, 2,5-Dihydrothiophene <em>S</em>,<em>S</em>-dioxide, 2,5-Dihydrothiophene dioxide, 2,5-Dihydrothiophene sulfone, 3-Sulfolene, Butadiene sulfone, NSC 48532, NSC 56373, Sulfolene, Sulpholene, Thiophene, 2,5-dihydro-, 1,1-dioxide, β-Sulfolene; object_uuid=fo-d2ed1462a10c594e
cas_match_labels 1 — consensus_match group_key=2,5-dihydrothiophene1,1-dioxide||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'77-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2ed1462a10c594e: {'77-79-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'77-79-2': 'exactMatch'} group_key=2,5-dihydrothiophene1,1-dioxide||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'77-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2ed1462a10c594e: {'77-79-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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