Consensus flow list

Identity

Type
Chemical salt
CAS
3965-55-7
EC
223-578-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LLHSEQCZSNZLRI-UHFFFAOYSA-M, YYYWHHMCKHITRA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string 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
IUPAC name chemrof:IUPAC_name Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate
Molecular formula chemrof:molecular_formula C10H10NaO7S, C10H9NaO7S
SMILES string chemrof:smiles_string COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.[Na+]

Known URLs

3

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3965-55-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.436 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/45157439 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
ead0c16e-5c25-4cee-99a0-54585e4d5009 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
440e605c-c50a-4bd1-acf3-699e89da90c9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ca012b6b-8e71-4836-a83a-9b4fc4beadc0 Environmental → Air → Indoor EF 3.1 kg 4
3a626751-089d-4fc3-b800-95315a8269d4 Environmental → Air → Long-term EF 3.1 kg 0
90189b83-8a4e-4666-9075-dc730e585ce5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe491207-fea6-4f0c-a008-8b30ae135a8d Environmental → Air → Unknown EF 3.1 kg 4
03cb1ca5-d200-4ad3-9766-fa3794212cd4 Environmental → Ground → Agricultural EF 3.1 kg 4
de6160d1-9b84-4d98-adfd-c0b9c8c867be Environmental → Ground → Non-agricultural EF 3.1 kg 4
cc3c4316-e3a5-4825-8d19-5834480b58c8 Environmental → Ground → Unknown EF 3.1 kg 4
f224799f-0bc4-4bb0-ad19-3d3498c51076 Environmental → Water → Long-term EF 3.1 kg 0
b137adef-1a86-488f-88ab-bfd478496a82 Environmental → Water → Ocean EF 3.1 kg 4
3e589b46-8137-433f-8e99-015be87b3168 Environmental → Water → Surface water EF 3.1 kg 4
abef2f36-f2bb-4f76-a58f-71a4a836a0a2 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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