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Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate

UUID 92550ae9-2b13-4d82-9653-840241e0f7aa
Flow Object IDfo-59b76c9158cec543
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 29857-13-4
EC Numbers 249-894-6
prefLabel
Language Value Provenance
en Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate
altLabel
Language Value Provenance
en Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)
en Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt
en DNS 268
en Diisodecyl sulfosuccinate sodium salt
en Disponil SUS-IC 10
en Hydropalat WE 3488
en Sodium diisodecyl sulfosuccinate
en Succinic acid, sulfo-, 1,4-diisodecyl ester, sodium salt
References
Shared Properties
Predicate Value
InChIKey NLXBARURHGYOBV-UHFFFAOYSA-N, XXIOSJPZBMCGGL-UHFFFAOYSA-M
InChI InChI=1S/C24H46O7S.Na/c1-20(2)15-11-7-5-9-13-17-30-23(25)19-22(32(27,28)29)24(26)31-18-14-10-6-8-12-16-21(3)4;/h20-22H,5-19H2,1-4H3,(H,27,28,29);/q;+1/p-1, InChI=1S/C56H64N12P4/c1-41-17-9-25-49(33-41)57-69(58-50-26-10-18-42(2)34-50)65-70(59-51-27-11-19-43(3)35-51,60-52-28-12-20-44(4)36-52)67-72(63-55-31-15-23-47(7)39-55,64-56-32-16-24-48(8)40-56)68-71(66-69,61-53-29-13-21-45(5)37-53)62-54-30-14-22-46(6)38-54/h9-40,57-64H,1-8H3
IUPAC name 2-N,2-N',4-N,4-N',6-N,6-N',8-N,8-N'-octakis(3-methylphenyl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine, N2,N2',N4,N4',N6,N6',N8,N8'-octakis(3-methylphenyl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine, N2,N2',N4,N4',N6,N6',N8,N8'-octakis(m-tolyl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine, [2,4,4,6,6,8,8-heptakis(m-toluidino)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]-(m-tolyl)amine, sodium 1,4-bis(8-methylnonoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate, sodium 1,4-bis(8-methylnonoxy)-1,4-dioxo-2-butanesulfonate, sodium 1,4-bis(8-methylnonoxy)-1,4-dioxo-butane-2-sulfonate, sodium 1,4-bis(8-methylnonoxy)-1,4-dioxobutane-2-sulfonate, sodium 1,4-diketo-1,4-bis(8-methylnonoxy)butane-2-sulfonate
Molecular formula C24H45NaO7S, C56H64N12P4
SMILES CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+], CC1=CC(=CC=C1)NP2(=NP(=NP(=NP(=N2)(NC3=CC=CC(=C3)C)NC4=CC=CC(=C4)C)(NC5=CC=CC(=C5)C)NC6=CC=CC(=C6)C)(NC7=CC=CC(=C7)C)NC8=CC=CC(=C8)C)NC9=CC=CC(=C9)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 92550ae9-2b13-4d82-9653-840241e0f7aa sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate Emissions/Emissions to water/Emissions to water, unspecified 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=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=29857-13-4; added Common Chemistry CAS names as altLabel: Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt, DNS 268, Diisodecyl sulfosuccinate sodium salt, Disponil SUS-IC 10, Hydropalat WE 3488, Sodium diisodecyl sulfosuccinate, Succinic acid, sulfo-, 1,4-diisodecyl ester, sodium salt; object_uuid=fo-59b76c9158cec543
cas_match_labels 1 consensus_match group_key=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'29857-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-59b76c9158cec543: {'29857-13-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DNS 268', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diisodecyl sulfosuccinate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Disponil SUS-IC 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydropalat WE 3488', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium diisodecyl sulfosuccinate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, sulfo-, 1,4-diisodecyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:29857-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=29857-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; cas=29857-13-4; added Common Chemistry CAS names as altLabel: Butanedioic acid, 2-sulfo-, 1,4-diisodecyl ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt, DNS 268, Diisodecyl sulfosuccinate sodium salt, Disponil SUS-IC 10, Hydropalat WE 3488, Sodium diisodecyl sulfosuccinate, Succinic acid, sulfo-, 1,4-diisodecyl ester, sodium salt; object_uuid=fo-59b76c9158cec543
cas_match_labels None {'29857-13-4': 'exactMatch'} group_key=sodium1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'29857-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-59b76c9158cec543: {'29857-13-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "N2,N2',N4,N4',N6,N6',N8,N8'-octakis(3-methylphenyl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine",
        "N2,N2',N4,N4',N6,N6',N8,N8'-octakis(m-tolyl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,6,8,8-octamine",
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