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Details

Stereochemistry ACHIRAL
Molecular Formula C10H7Cl2N4O3S.Na
Molecular Weight 357.148
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)TOLUENE-3-SULFONATE

SMILES

[Na+].CC1=CC=C(NC2=NC(Cl)=NC(Cl)=N2)C(=C1)S([O-])(=O)=O

InChI

InChIKey=FWMYYRQSLCZOOL-UHFFFAOYSA-M
InChI=1S/C10H8Cl2N4O3S.Na/c1-5-2-3-6(7(4-5)20(17,18)19)13-10-15-8(11)14-9(12)16-10;/h2-4H,1H3,(H,17,18,19)(H,13,14,15,16);/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 C10H7Cl2N4O3S
Molecular Weight 334.159
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 13:14:47 GMT 2023
Edited
by admin
on Sat Dec 16 13:14:47 GMT 2023
Record UNII
6X4GE04A0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 4-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)TOLUENE-3-SULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-5-METHYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40240968
Created by admin on Sat Dec 16 13:14:47 GMT 2023 , Edited by admin on Sat Dec 16 13:14:47 GMT 2023
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FDA UNII
6X4GE04A0F
Created by admin on Sat Dec 16 13:14:47 GMT 2023 , Edited by admin on Sat Dec 16 13:14:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
303-475-5
Created by admin on Sat Dec 16 13:14:47 GMT 2023 , Edited by admin on Sat Dec 16 13:14:47 GMT 2023
PRIMARY
CAS
94199-98-1
Created by admin on Sat Dec 16 13:14:47 GMT 2023 , Edited by admin on Sat Dec 16 13:14:47 GMT 2023
PRIMARY
PUBCHEM
23690469
Created by admin on Sat Dec 16 13:14:47 GMT 2023 , Edited by admin on Sat Dec 16 13:14:47 GMT 2023
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