Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate
fo-39c41a2d7e75c555
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
Alternative labels
21- 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
- 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
- DM Sip
- 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
Properties
| Property | Value |
|---|---|
| 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
3Where 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)
Full record
Flow object JSON
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"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works