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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13O9S.Na
Molecular Weight 356.281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM BIS(2-HYDROXYETHYL) 5-SULFOISOPHTHALATE

SMILES

[Na+].OCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCO)S([O-])(=O)=O

InChI

InChIKey=YZLGIRGCZODDCE-UHFFFAOYSA-M
InChI=1S/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/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 C12H13O9S
Molecular Weight 333.291
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 07:53:05 GMT 2023
Edited
by admin
on Sat Dec 16 07:53:05 GMT 2023
Record UNII
UO915ZWT2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM BIS(2-HYDROXYETHYL) 5-SULFOISOPHTHALATE
Systematic Name English
ISOPHTHALIC ACID, 5-SULFO-, 1,3-BIS(2-HYDROXYETHYL) ESTER, MONOSODIUM SALT
Common Name English
ES-740
Code English
1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-BIS(2-HYDROXYETHYL)ESTER, MONOSODIUM SALT
Systematic Name English
1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-BIS(2-HYDROXYETHYL) ESTER, SODIUM SALT (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
23672334
Created by admin on Sat Dec 16 07:53:05 GMT 2023 , Edited by admin on Sat Dec 16 07:53:05 GMT 2023
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FDA UNII
UO915ZWT2N
Created by admin on Sat Dec 16 07:53:05 GMT 2023 , Edited by admin on Sat Dec 16 07:53:05 GMT 2023
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CAS
24019-46-3
Created by admin on Sat Dec 16 07:53:05 GMT 2023 , Edited by admin on Sat Dec 16 07:53:05 GMT 2023
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ECHA (EC/EINECS)
245-987-0
Created by admin on Sat Dec 16 07:53:05 GMT 2023 , Edited by admin on Sat Dec 16 07:53:05 GMT 2023
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EPA CompTox
DTXSID00920678
Created by admin on Sat Dec 16 07:53:05 GMT 2023 , Edited by admin on Sat Dec 16 07:53:05 GMT 2023
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