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3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid

UUID b2a1d7e6-aab1-4ec7-afd1-ec9f2b121ec3
Deprecated yes
Replaced By c960a507-a95c-40ec-b1f0-60ba619d106c
Flow Object IDfo-4a8f3ac7ec863b13
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 119-17-5
EC Numbers 204-303-0
prefLabel
Language Value Provenance
en 3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid
altLabel ⓘ
Language Value Provenance
en 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone
en 3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
en 3-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid
en 3-Methyl-1-(3-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-(3′-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-(<em>m</em>-sulfophenyl)-2-pyrazolin-5-one
en <em>m</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
en Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-
en Benzenesulfonic acid, <em>m</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
en NSC 15354
en NSC 50668
References
Shared Properties
Predicate Value
InChIKey CVRLFDNHCLPOAO-UHFFFAOYSA-N, FHXUYFKYRBLZJU-UHFFFAOYSA-N, VEMGKBUHUTYHHA-UHFFFAOYSA-N
InChI InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16), InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-6,11H,1H3,(H,14,15,16), InChI=1S/C10H12N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6-7,11H,5H2,1H3,(H,14,15,16)
IUPAC name 3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid, 3-(3-methyl-5-oxidanylidene-pyrazolidin-1-yl)benzenesulfonic acid, 3-(3-methyl-5-oxo-1-pyrazolidinyl)benzenesulfonic acid, 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, 3-(3-methyl-5-oxo-pyrazolidin-1-yl)benzenesulfonic acid, 3-(3-methyl-5-oxopyrazolidin-1-yl)benzenesulfonic acid, 3-(5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid, 3-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid, 3-(5-keto-3-methyl-pyrazolidin-1-yl)besylic acid, 3-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid, 3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid
Molecular formula C10H10N2O4S, C10H12N2O4S
SMILES CC1=CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O, CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O, CC1CC(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b2a1d7e6-aab1-4ec7-afd1-ec9f2b121ec3 3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic 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=3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=119-17-5; added Common Chemistry CAS names as altLabel: 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone, 3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid, 3-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid, 3-Methyl-1-(3-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(3′-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(<em>m</em>-sulfophenyl)-2-pyrazolin-5-one, <em>m</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-, Benzenesulfonic acid, <em>m</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, NSC 15354, NSC 50668; object_uuid=fo-4a8f3ac7ec863b13
cas_match_labels 1 — consensus_match group_key=3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'119-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4a8f3ac7ec863b13: {'119-17-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'119-17-5': 'exactMatch'} group_key=3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'119-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4a8f3ac7ec863b13: {'119-17-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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