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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N2O8S3.2Na
Molecular Weight 404.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM (((4-((SULFONATOMETHYL)AMINO)PHENYL)SULFONYL)AMINO)METHANESULFONATE

SMILES

[Na+].[Na+].[O-]S(=O)(=O)CNC1=CC=C(C=C1)S(=O)(=O)NCS([O-])(=O)=O

InChI

InChIKey=OTGATJDRBGEMQH-UHFFFAOYSA-L
InChI=1S/C8H12N2O8S3.2Na/c11-19(12,13)5-9-7-1-3-8(4-2-7)21(17,18)10-6-20(14,15)16;;/h1-4,9-10H,5-6H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C8H10N2O8S3
Molecular Weight 358.369
Charge -2
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

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:16:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:25 GMT 2023
Record UNII
LL5T8F89CK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM (((4-((SULFONATOMETHYL)AMINO)PHENYL)SULFONYL)AMINO)METHANESULFONATE
Systematic Name English
METHANESULFONIC ACID, (((4-((SULFOMETHYL)AMINO)PHENYL)SULFONYL)AMINO)-, DISODIUM SALT
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50240772
Created by admin on Sat Dec 16 12:16:25 GMT 2023 , Edited by admin on Sat Dec 16 12:16:25 GMT 2023
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CAS
94135-88-3
Created by admin on Sat Dec 16 12:16:25 GMT 2023 , Edited by admin on Sat Dec 16 12:16:25 GMT 2023
PRIMARY
PUBCHEM
11971293
Created by admin on Sat Dec 16 12:16:25 GMT 2023 , Edited by admin on Sat Dec 16 12:16:25 GMT 2023
PRIMARY
FDA UNII
LL5T8F89CK
Created by admin on Sat Dec 16 12:16:25 GMT 2023 , Edited by admin on Sat Dec 16 12:16:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-959-3
Created by admin on Sat Dec 16 12:16:25 GMT 2023 , Edited by admin on Sat Dec 16 12:16:25 GMT 2023
PRIMARY