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Tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate

UUID c43b507a-c9d8-4439-9ea4-4c91243146f9
Flow Object IDfo-c61056471e51aa44
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 187674-70-0
EC Numbers 421-950-6
prefLabel
Language Value Provenance
en Tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate
altLabel ⓘ
Language Value Provenance
en 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)
en 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt
en Ilford Y 104
en Y 104 (dye)
References
Shared Properties
Predicate Value
InChIKey DPZAWVAAMOZRKW-UHFFFAOYSA-J, GOZVVCJRTYIZOP-UHFFFAOYSA-J
InChI InChI=1S/C27H30N6O13S6.4Na/c1-16-12-21(28-25-29-26(47-8-4-10-49(34,35)36)31-27(30-25)48-9-5-11-50(37,38)39)22(46-2)15-20(16)33-32-17-13-19-18(24(14-17)52(43,44)45)6-3-7-23(19)51(40,41)42;;;;/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,28,29,30,31);;;;/q;4*+1/p-4, InChI=1S/C27H30N6O13S6.Na/c1-16-12-21(28-25-29-26(47-8-4-10-49(34,35)36)31-27(30-25)48-9-5-11-50(37,38)39)22(46-2)15-20(16)33-32-17-13-19-18(24(14-17)52(43,44)45)6-3-7-23(19)51(40,41)42;/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,28,29,30,31);/q;+1/p-4
IUPAC name sodium 3-[4-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate, sodium 3-[4-[[4,6-bis(3-sulfonatopropylthio)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,5-disulfonate, sodium 3-[4-[[4,6-bis(3-sulfonatopropylthio)-s-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate, sodium 3-[[4-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate, sodium 3-[[4-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate, tetrasodium;3-[4-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate, tetrasodium;3-[4-[[4,6-bis(3-sulfonatopropylthio)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,5-disulfonate, tetrasodium;3-[4-[[4,6-bis(3-sulfonatopropylthio)-s-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate, tetrasodium;3-[[4-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate, tetrasodium;3-[[4-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
Molecular formula C27H26N6Na4O13S6, C27H26N6NaO13S6-3
SMILES CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])OC)NC4=NC(=NC(=N4)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-].[Na+], CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])OC)NC4=NC(=NC(=N4)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c43b507a-c9d8-4439-9ea4-4c91243146f9 tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tetrasodium 3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate Emissions/Emissions to air/Emissions to air, indoor 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=tetrasodium3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=187674-70-0; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4), 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt, Ilford Y 104, Y 104 (dye); object_uuid=fo-c61056471e51aa44
cas_match_labels 1 — consensus_match group_key=tetrasodium3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'187674-70-0': []}; assigned CAS labels from group consensus; object_uuid=fo-c61056471e51aa44: {'187674-70-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:187674-70-0', 'https://commonchemistry.cas.org/detail?cas_rn=187674-70-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,5-Naphthalenedisulfonic acid, 3-[[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:187674-70-0', 'https://commonchemistry.cas.org/detail?cas_rn=187674-70-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ilford Y 104', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:187674-70-0', 'https://commonchemistry.cas.org/detail?cas_rn=187674-70-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Y 104 (dye)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:187674-70-0', 'https://commonchemistry.cas.org/detail?cas_rn=187674-70-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tetrasodium3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=187674-70-0; added Common Chemistry CAS names as altLabel: 1,5-Naphthalenedisulfonic acid, 3-[2-[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-, sodium salt (1:4), 1,5-Naphthalenedisulfonic acid, 3-[[4-[[4,6-bis[(3-sulfopropyl)thio]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt, Ilford Y 104, Y 104 (dye); object_uuid=fo-c61056471e51aa44
cas_match_labels None {'187674-70-0': 'exactMatch'} group_key=tetrasodium3-[[4-[[4,6-bis-[(3-sulfonatoprop-1-yl)thio]-1,3,5-triazin-2-yl]amino]-2-methyl-5-methoxy-phenyl]azonaphthalene-1,5-disulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'187674-70-0': []}; assigned CAS labels from group consensus; object_uuid=fo-c61056471e51aa44: {'187674-70-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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