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Details

Stereochemistry ACHIRAL
Molecular Formula C11H11O8S.Na
Molecular Weight 326.255
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium dihydrogen 5-(3-sulfonatopropoxy)isophthalate

SMILES

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

InChI

InChIKey=OPPAMCXEVPUKEF-UHFFFAOYSA-M
InChI=1S/C11H12O8S.Na/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18;/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C11H11O8S
Molecular Weight 303.265
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:48:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:48:32 GMT 2023
Record UNII
R6F9TA2NER
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium dihydrogen 5-(3-sulfonatopropoxy)isophthalate
Systematic Name English
1,3-Benzenedicarboxylic acid, 5-(3-sulfopropoxy)-, sodium salt (1:1)
Systematic Name English
Sodium dihydrogen 5-(3-sulphonatopropoxy)isophthalate
Systematic Name English
1,3-Benzenedicarboxylic acid, 5-(3-sulfopropoxy)-, sodium salt
Common Name English
Code System Code Type Description
FDA UNII
R6F9TA2NER
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
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CAS
66687-30-7
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
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EPA CompTox
DTXSID70216838
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
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ECHA (EC/EINECS)
266-448-6
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
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PUBCHEM
23715896
Created by admin on Sat Dec 16 18:48:32 GMT 2023 , Edited by admin on Sat Dec 16 18:48:32 GMT 2023
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