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Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate

UUID 18849ccd-8f09-4b21-ab03-945272818744
Flow Object IDfo-6bf07ef73edf5e09
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 89157-03-9
EC Numbers 402-420-3
prefLabel
Language Value Provenance
en Pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate
altLabel ⓘ
Language Value Provenance
en 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)
en 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt
en C.I. 18220
en C.I. Reactive Red 241
en Drimarene Red CL 5B
en Everzol Red 3BS
en Intrajet Magenta VER
en Reactive Red 241
en Reactive Red 3BS
en Reactive Red D 2BF
en Rifafix Red 3BN
References
Shared Properties
Predicate Value
InChIKey BUBBXEFEHIIOQX-UHFFFAOYSA-N, HQBBUPLMNPBIRI-QUSWNXLDSA-I, YYOYUTRZHZNCFZ-UHFFFAOYSA-I
InChI InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-4-6-17(7-5-16)59(41,42)11-10-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)12-15-13-24(62(49,50)51)26(27(40)25(15)22)39-38-21-9-8-19-20(28(21)63(52,53)54)2-1-3-23(19)61(46,47)48;;;;;/h1-9,12-14,38H,10-11H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5/b39-26+;;;;;, InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-4-6-17(7-5-16)59(41,42)11-10-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)12-15-13-24(62(49,50)51)26(27(40)25(15)22)39-38-21-9-8-19-20(28(21)63(52,53)54)2-1-3-23(19)61(46,47)48;;;;;/h1-9,12-14,40H,10-11H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;, InChI=1S/C31H24ClN7O19S6.5Na/c32-29-35-30(33-16-4-6-17(7-5-16)59(41,42)11-10-58-64(55,56)57)37-31(36-29)34-22-14-18(60(43,44)45)12-15-13-24(62(49,50)51)26(27(40)25(15)22)39-38-21-9-8-19-20(28(21)63(52,53)54)2-1-3-23(19)61(46,47)48;;;;;/h1-9,12-14,40H,10-11H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,33,34,35,36,37);;;;;/q;5*+1/p-5
IUPAC name pentasodium;(3Z)-5-[[4-chloranyl-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate, pentasodium;(3Z)-5-[[4-chloro-6-[4-(2-sulfatoethylsulfonyl)anilino]-s-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate, pentasodium;(3Z)-5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate, pentasodium;(3Z)-5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate, pentasodium;(3Z)-5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate, pentasodium;5-[[4-chloranyl-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-oxidanyl-naphthalene-2,7-disulfonate, pentasodium;5-[[4-chloro-6-[4-(2-sulfatoethylsulfonyl)anilino]-s-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthyl)azo]-4-hydroxy-naphthalene-2,7-disulfonate, pentasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthalenyl)azo]-4-hydroxynaphthalene-2,7-disulfonate, pentasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonato-2-naphthyl)azo]-4-hydroxy-naphthalene-2,7-disulfonate, pentasodium;5-[[4-chloro-6-[4-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Molecular formula C31H19ClN7Na5O19S6, C31H24ClN7Na5O19S6
Molecular mass 1141.368
Monoisotopic mass 1139.862822
SMILES C1=CC2=C(C=CC(=C2S(=O)(=O)O)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)O)Cl)O)C(=C1)S(=O)(=O)O.[Na].[Na].[Na].[Na].[Na], C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N/N=C/3\C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+], C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)O)C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+], C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)CCOS(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+], O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(O)c34)n2)cc1.[Na].[Na].[Na].[Na].[Na]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 18849ccd-8f09-4b21-ab03-945272818744 pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate Emissions/Emissions to air/Emissions to air, unspecified (long-term) 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=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=89157-03-9; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5), 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt, C.I. 18220, C.I. Reactive Red 241, Drimarene Red CL 5B, Everzol Red 3BS, Intrajet Magenta VER, Reactive Red 241, Reactive Red 3BS, Reactive Red D 2BF, Rifafix Red 3BN; object_uuid=fo-6bf07ef73edf5e09
cas_match_labels 1 — consensus_match group_key=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'89157-03-9': []}; assigned CAS labels from group consensus; object_uuid=fo-6bf07ef73edf5e09: {'89157-03-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. 18220', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C.I. Reactive Red 241', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Drimarene Red CL 5B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Everzol Red 3BS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Intrajet Magenta VER', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Red 241', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Red 3BS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reactive Red D 2BF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rifafix Red 3BN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89157-03-9', 'https://commonchemistry.cas.org/detail?cas_rn=89157-03-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=89157-03-9; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:5), 1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt, C.I. 18220, C.I. Reactive Red 241, Drimarene Red CL 5B, Everzol Red 3BS, Intrajet Magenta VER, Reactive Red 241, Reactive Red 3BS, Reactive Red D 2BF, Rifafix Red 3BN; object_uuid=fo-6bf07ef73edf5e09
cas_match_labels None {'89157-03-9': 'exactMatch'} group_key=pentasodium-5-{4-chloro-6-[4-(2-sulfatoethylsulfonyl)phenylamino]-1,3,5-triazin-2-ylamino}-4-hydroxy-3-(1,5-disulfonatonaphthalen-2-ylazo)naphthalene-2,7-disulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'89157-03-9': []}; assigned CAS labels from group consensus; object_uuid=fo-6bf07ef73edf5e09: {'89157-03-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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