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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

Molecular Formula C10H9O7S
Molecular Weight 273.239
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Biodegradable aliphatic polyester ionomers.
2004 Mar 15
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:31 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:31 GMT 2023
Record UNII
7L3G5X9VDU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1,3-DIMETHYL-5-SULFOISOPHTHALATE
Systematic 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
1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-DIMETHYL ESTER, SODIUM SALT
Common Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 563
Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID6027551
Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023
PRIMARY
FDA UNII
7L3G5X9VDU
Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-578-8
Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023
PRIMARY
CAS
3965-55-7
Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023
PRIMARY
PUBCHEM
23675796
Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE