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Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate

UUID 440e605c-c50a-4bd1-acf3-699e89da90c9
Flow Object IDfo-39c41a2d7e75c555
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 3965-55-7
EC Numbers 223-578-8
prefLabel
Language Value Provenance
en Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate
altLabel ⓘ
Language Value Provenance
en 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
en 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1)
en 3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt
en 3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt
en 5-Sulfoisophthalic acid dimethyl ester sodium salt
en AD 2100
en AD 2100T
en DM Sip
en Dimethyl 5-(sodiosulfo)isophthalate
en Dimethyl 5-sulfoisophthalate sodium salt
en Dimethyl isophthalate sodium 5-sulfonate
en Dimethyl isophthalate-5-sulfonic acid sodium salt
en Dimethyl sodium 5-sulfoisophthalate
en Dimethyl sulfoisophthalate sodium salt
en Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
en SIPM
en Sodium 3,5-(dimethoxycarbonyl)benzenesulfonate
en Sodium 3,5-bis(carbomethoxy)benzenesulfonate
en Sodium 3,5-di(carbomethoxy)benzenesulfonate
en Sodium 5-sulfoisophthalic acid dimethyl ester
en Sodium dimethyl 5-sulfoisophthalate
en Sodium dimethyl 5-sulfonatoisophthalate
en Ukanol DM Sip
References
Shared Properties
Predicate Value
InChIKey HTXMGVTWXZBZNC-UHFFFAOYSA-M, HTXMGVTWXZBZNC-UHFFFAOYSA-N, HULHEEDJIYPIDW-UHFFFAOYSA-M, LLHSEQCZSNZLRI-UHFFFAOYSA-M, MIYQNOPLWKCHED-UHFFFAOYSA-N, YYYWHHMCKHITRA-UHFFFAOYSA-N
InChI InChI=1S/C10H10O7S.Na.H2O/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;;/h3-5H,1-2H3,(H,13,14,15);;1H2/q;+1;/p-1, InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);, InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1, InChI=1S/C10H10O7S/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h3-5H,1-2H3,(H,13,14,15), InChI=1S/C10H10O7S/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h3-5H,1-2H3,(H,13,14,15)/p-1, InChI=1S/C12H15NO3/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16)
IUPAC name 2-benzamido-3-methyl-butanoic acid, 2-benzamido-3-methyl-butyric acid, 2-benzamido-3-methylbutanoic acid, 3,5-bis(methoxycarbonyl)benzenesulfonate, 3,5-bis(methoxycarbonyl)benzenesulfonic acid, 3,5-dicarbomethoxybesylate, 3,5-dicarbomethoxybesylic acid, sodium 3,5-bis(methoxycarbonyl)benzenesulfonate, sodium 3,5-dicarbomethoxybesylate, sodium;3,5-bis(methoxycarbonyl)benzenesulfonate;hydrate, sodium;3,5-dicarbomethoxybesylate;hydrate
Molecular formula C10H10NaO7S, C10H10O7S, C10H11NaO8S, C10H9NaO7S, C10H9O7S-, C12H15NO3
SMILES CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1, COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC, COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC.[Na], COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC, COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.O.[Na+], COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 440e605c-c50a-4bd1-acf3-699e89da90c9 sodium 3,5-bis(methoxycarbonyl)benzenesulfonate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium 3,5-bis(methoxycarbonyl)benzenesulfonate Emissions/Emissions to air/Emissions to urban air close to ground 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=sodium3,5-bis(methoxycarbonyl)benzenesulfonate||dimension=Environmental > media=Ground > geography=Agricultural; cas=3965-55-7; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1), 3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt, 3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt, 5-Sulfoisophthalic acid dimethyl ester sodium salt, AD 2100, AD 2100T, DM Sip, Dimethyl 5-(sodiosulfo)isophthalate, Dimethyl 5-sulfoisophthalate sodium salt, Dimethyl isophthalate sodium 5-sulfonate, Dimethyl isophthalate-5-sulfonic acid sodium salt, Dimethyl sodium 5-sulfoisophthalate, Dimethyl sulfoisophthalate sodium salt, Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, SIPM, Sodium 3,5-(dimethoxycarbonyl)benzenesulfonate, Sodium 3,5-bis(carbomethoxy)benzenesulfonate, Sodium 3,5-di(carbomethoxy)benzenesulfonate, Sodium 5-sulfoisophthalic acid dimethyl ester, Sodium dimethyl 5-sulfoisophthalate, Sodium dimethyl 5-sulfonatoisophthalate, Ukanol DM Sip; object_uuid=fo-39c41a2d7e75c555
cas_match_labels 1 — consensus_match group_key=sodium3,5-bis(methoxycarbonyl)benzenesulfonate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3965-55-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39c41a2d7e75c555: {'3965-55-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Sulfoisophthalic acid dimethyl ester sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AD 2100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AD 2100T', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DM Sip', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 5-(sodiosulfo)isophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 5-sulfoisophthalate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl isophthalate sodium 5-sulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl isophthalate-5-sulfonic acid sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl sodium 5-sulfoisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl sulfoisophthalate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SIPM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 3,5-(dimethoxycarbonyl)benzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 3,5-bis(carbomethoxy)benzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 3,5-di(carbomethoxy)benzenesulfonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 5-sulfoisophthalic acid dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium dimethyl 5-sulfoisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium dimethyl 5-sulfonatoisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ukanol DM Sip', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3965-55-7', 'https://commonchemistry.cas.org/detail?cas_rn=3965-55-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodium3,5-bis(methoxycarbonyl)benzenesulfonate||dimension=Environmental > media=Ground > geography=Agricultural; cas=3965-55-7; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1), 3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt, 3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt, 5-Sulfoisophthalic acid dimethyl ester sodium salt, AD 2100, AD 2100T, DM Sip, Dimethyl 5-(sodiosulfo)isophthalate, Dimethyl 5-sulfoisophthalate sodium salt, Dimethyl isophthalate sodium 5-sulfonate, Dimethyl isophthalate-5-sulfonic acid sodium salt, Dimethyl sodium 5-sulfoisophthalate, Dimethyl sulfoisophthalate sodium salt, Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, SIPM, Sodium 3,5-(dimethoxycarbonyl)benzenesulfonate, Sodium 3,5-bis(carbomethoxy)benzenesulfonate, Sodium 3,5-di(carbomethoxy)benzenesulfonate, Sodium 5-sulfoisophthalic acid dimethyl ester, Sodium dimethyl 5-sulfoisophthalate, Sodium dimethyl 5-sulfonatoisophthalate, Ukanol DM Sip; object_uuid=fo-39c41a2d7e75c555
cas_match_labels None {'3965-55-7': 'exactMatch'} group_key=sodium3,5-bis(methoxycarbonyl)benzenesulfonate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3965-55-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39c41a2d7e75c555: {'3965-55-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 20.296
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.4706e-7
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