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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10NO3S.Na
Molecular Weight 223.225
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 4-amino-m-xylene-5-sulfonate

SMILES

[Na+].CC1=CC(=C(N)C(C)=C1)S([O-])(=O)=O

InChI

InChIKey=ZTJNNZNTRJTRMP-UHFFFAOYSA-M
InChI=1S/C8H11NO3S.Na/c1-5-3-6(2)8(9)7(4-5)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C8H10NO3S
Molecular Weight 200.235
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

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:22:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:09 GMT 2023
Record UNII
567637QW7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 4-amino-m-xylene-5-sulfonate
Systematic Name English
Sodium 2,4-dimethylaniline-6-sulfonate
Systematic Name English
Benzenesulfonic acid, 2-amino-3,5-dimethyl-, sodium salt (1:1)
Systematic Name English
Benzenesulfonic acid, 2-amino-3,5-dimethyl-, monosodium salt
Systematic Name English
Sodium 4-amino-m-xylene-5-sulphonate
Systematic Name English
Code System Code Type Description
FDA UNII
567637QW7R
Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023
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PUBCHEM
23684908
Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
264-925-3
Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID40214760
Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023
PRIMARY
CAS
64501-85-5
Created by admin on Sat Dec 16 12:22:09 GMT 2023 , Edited by admin on Sat Dec 16 12:22:09 GMT 2023
PRIMARY