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5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic Acid, Sodium Salt /n/n

UUID 473b03e5-1d71-45f6-a8eb-a56d3cc08d4c
Flow Object IDfo-9ec25aafd19cf25a
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 85586-40-9
EC Numbers 287-842-4
prefLabel
Language Value Provenance
en 5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic Acid, Sodium Salt /n/n
altLabel
Language Value Provenance
en 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:?)
en 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt
References
Shared Properties
Predicate Value
InChIKey XWPJKMFRMGRVEU-UHFFFAOYSA-J
InChI InChI=1S/C29H23N3O17S5.4Na/c33-27-25-18(13-20(51(37,38)39)15-23(25)30-29(34)16-4-2-1-3-5-16)14-24(52(40,41)42)26(27)32-31-22-9-6-17-12-19(7-8-21(17)28(22)53(43,44)45)50(35,36)11-10-49-54(46,47)48;;;;/h1-9,12-15,33H,10-11H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4
IUPAC name tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]azo]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]azo]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-hydroxy-3-[[6-(2-sulfatoethylsulfonyl)-1-sulfonato-2-naphthyl]azo]naphthalene-2,7-disulfonate, tetrasodium;5-benzamido-4-oxidanyl-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate, tetrasodium;N-[8-oxidanidyl-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthalenyl]azo]-1-naphthalenyl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)-2-naphthyl]azo]-1-naphthyl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalen-1-yl]benzenecarboximidate, tetrasodium;N-[8-oxido-3,6-disulfonato-7-[[1-sulfo-6-(2-sulfoxyethylsulfonyl)-2-naphthyl]azo]-1-naphthyl]benzenecarboximidate
Molecular formula C29H19N3Na4O17S5
SMILES C1=CC=C(C=C1)C(=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3[O-])N=NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+], C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=C(C=C4)C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 473b03e5-1d71-45f6-a8eb-a56d3cc08d4c 5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic acid, sodium salt /n/n

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic acid, sodium salt /n/n 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=5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonicacid,sodiumsalt/n/n||dimension=Environmental > media=Water > water_body=Surface water; cas=85586-40-9; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:?), 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt; object_uuid=fo-9ec25aafd19cf25a
cas_match_labels 1 consensus_match group_key=5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonicacid,sodiumsalt/n/n||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'85586-40-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9ec25aafd19cf25a: {'85586-40-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:?)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:85586-40-9', 'https://commonchemistry.cas.org/detail?cas_rn=85586-40-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:85586-40-9', 'https://commonchemistry.cas.org/detail?cas_rn=85586-40-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonicacid,sodiumsalt/n/n||dimension=Environmental > media=Water > water_body=Surface water; cas=85586-40-9; added Common Chemistry CAS names as altLabel: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[2-[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]diazenyl]-, sodium salt (1:?), 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-4-hydroxy-3-[[1-sulfo-6-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt; object_uuid=fo-9ec25aafd19cf25a
cas_match_labels None {'85586-40-9': 'exactMatch'} group_key=5-(benzoylamino)-4-hydroxy-3-((1-sulpho-6-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonicacid,sodiumsalt/n/n||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'85586-40-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9ec25aafd19cf25a: {'85586-40-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "tetrasodium;5-benzamido-4-hydroxy-3-[[1-sulfonato-6-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]azo]naphthalene-2,7-disulfonate",
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