U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9O7S.Na
Molecular Weight 296.229
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1,3-DIMETHYL-5-SULFOISOPHTHALATE

SMILES

[Na+].COC(=O)C1=CC(=CC(=C1)C(=O)OC)S([O-])(=O)=O

InChI

InChIKey=LLHSEQCZSNZLRI-UHFFFAOYSA-M
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

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Biodegradable aliphatic polyester ionomers.
2004-03-15
Patents
Name Type Language
SODIUM 1,3-DIMETHYL-5-SULFOISOPHTHALATE
Systematic Name English
1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-DIMETHYL ESTER, SODIUM SALT
Preferred Name English
ISOPHTHALIC ACID, 5-SULFO-, 1,3-DIMETHYL ESTER, SODIUM SALT
Common Name English
BENZENESULFONIC ACID, 3,5-BIS(METHOXYCARBONYL)-, SODIUM SALT
Common Name English
1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-DIMETHYL ESTER, SODIUM SALT (1:1)
Systematic Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 563
Created by admin on Mon Mar 31 19:57:04 GMT 2025 , Edited by admin on Mon Mar 31 19:57:04 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID6027551
Created by admin on Mon Mar 31 19:57:04 GMT 2025 , Edited by admin on Mon Mar 31 19:57:04 GMT 2025
PRIMARY
FDA UNII
7L3G5X9VDU
Created by admin on Mon Mar 31 19:57:04 GMT 2025 , Edited by admin on Mon Mar 31 19:57:04 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-578-8
Created by admin on Mon Mar 31 19:57:04 GMT 2025 , Edited by admin on Mon Mar 31 19:57:04 GMT 2025
PRIMARY
CAS
3965-55-7
Created by admin on Mon Mar 31 19:57:04 GMT 2025 , Edited by admin on Mon Mar 31 19:57:04 GMT 2025
PRIMARY
PUBCHEM
23675796
Created by admin on Mon Mar 31 19:57:04 GMT 2025 , Edited by admin on Mon Mar 31 19:57:04 GMT 2025
PRIMARY