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Tetrasodium 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate

UUID 19ed5d80-3f03-460f-a7bf-4b174a7e7062
Flow Object IDfo-728f6b7c3a4641d8
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 80156-97-4
EC Numbers 474-870-9
prefLabel
Language Value Provenance
en Tetrasodium 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate
altLabel ⓘ
Language Value Provenance
en 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)
en 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt
en Reactive Yellow 3R
en Reactive Yellow 4RFN
en Reactive Yellow DF 3KS
References
Shared Properties
Predicate Value
InChIKey GPFOSZPSWZQQDR-UHFFFAOYSA-J, GPFOSZPSWZQQDR-UHFFFAOYSA-N, LXCIOWGKZVVCRE-UHFFFAOYSA-J
InChI InChI=1S/C28H24ClN9O16S5.16Na/c29-25-34-27(31-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)36-28(35-25)32-16-3-6-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)58(48,49)50)9-18(56(42,43)44)12-23(19)57(45,46)47;;;;;;;;;;;;;;;;/h1-6,9-13H,7-8H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;;;;;;;;;;;;;/q;16*+1/p-4, InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)36-28(35-25)32-16-3-6-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)58(48,49)50)9-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-6,9-13H,7-8H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1, InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)36-28(35-25)32-16-3-6-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)58(48,49)50)9-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-6,9-13H,7-8H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4
IUPAC name hexadecasodium;7-[2-(carbamoylamino)-4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate, hexadecasodium;7-[4-[[4-chloro-6-[4-(2-sulfatoethylsulfonyl)anilino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate, hexadecasodium;7-[4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate, hexadecasodium;7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, hexadecasodium;7-[[2-(carbamoylamino)-4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, tetrasodium;7-[2-(carbamoylamino)-4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate, tetrasodium;7-[2-(carbamoylamino)-4-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid, tetrasodium;7-[2-[[amino(oxido)methylene]amino]-4-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate, tetrasodium;7-[2-[[amino(oxido)methylene]amino]-4-[[4-chloro-6-[4-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate, tetrasodium;7-[2-[[amino(oxido)methylidene]amino]-4-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonate, tetrasodium;7-[4-[[4-chloro-6-[4-(2-sulfatoethylsulfonyl)anilino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate, tetrasodium;7-[4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonate, tetrasodium;7-[4-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid, tetrasodium;7-[4-[[4-chloro-6-[4-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid, tetrasodium;7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, tetrasodium;7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid, tetrasodium;7-[[2-(carbamoylamino)-4-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, tetrasodium;7-[[2-(carbamoylamino)-4-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid, tetrasodium;7-[[2-[[amino(oxido)methylidene]amino]-4-[[4-chloro-6-[4-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate, tetrasodium;7-[[2-[[azanyl(oxidanidyl)methylidene]amino]-4-[[4-chloranyl-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Molecular formula C28H20ClN9Na16O16S5+12, C28H20ClN9Na4O16S5, C28H24ClN9Na4O16S5+4
SMILES C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)S(=O)(=O)CCOS(=O)(=O)O.[Na+].[Na+].[Na+].[Na+], C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=C(N)[O-])S(=O)(=O)CCOS(=O)(=O)O.[Na+].[Na+].[Na+].[Na+], C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+], C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 19ed5d80-3f03-460f-a7bf-4b174a7e7062 tetrasodium 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tetrasodium 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate Emissions/Emissions to water/Emissions to fresh 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=tetrasodium7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate||dimension=Environmental > media=Water > water_body=Surface water; cas=80156-97-4; added Common Chemistry CAS names as altLabel: 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4), 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt, Reactive Yellow 3R, Reactive Yellow 4RFN, Reactive Yellow DF 3KS; object_uuid=fo-728f6b7c3a4641d8
cas_match_labels 1 — consensus_match group_key=tetrasodium7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'80156-97-4': []}; assigned CAS labels from group consensus; object_uuid=fo-728f6b7c3a4641d8: {'80156-97-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:80156-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=80156-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:80156-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=80156-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Yellow 3R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:80156-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=80156-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Yellow 4RFN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:80156-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=80156-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Yellow DF 3KS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:80156-97-4', 'https://commonchemistry.cas.org/detail?cas_rn=80156-97-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tetrasodium7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate||dimension=Environmental > media=Water > water_body=Surface water; cas=80156-97-4; added Common Chemistry CAS names as altLabel: 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4), 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt, Reactive Yellow 3R, Reactive Yellow 4RFN, Reactive Yellow DF 3KS; object_uuid=fo-728f6b7c3a4641d8
cas_match_labels None {'80156-97-4': 'exactMatch'} group_key=tetrasodium7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'80156-97-4': []}; assigned CAS labels from group consensus; object_uuid=fo-728f6b7c3a4641d8: {'80156-97-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 1.2219e-7
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