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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19N2O7S.K
Molecular Weight 470.537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Naphthalenesulfonic acid, 4-hydroxy-7-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-, potassium salt

SMILES

[K+].COCCOC(=O)NC1=CC=C(NC2=CC3=CC(=CC(O)=C3C=C2)S([O-])(=O)=O)C=C1

InChI

InChIKey=WWSXUNHFFFGEME-UHFFFAOYSA-M
InChI=1S/C20H20N2O7S.K/c1-28-8-9-29-20(24)22-15-4-2-14(3-5-15)21-16-6-7-18-13(10-16)11-17(12-19(18)23)30(25,26)27;/h2-7,10-12,21,23H,8-9H2,1H3,(H,22,24)(H,25,26,27);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H19N2O7S
Molecular Weight 431.439
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 20:18:59 GMT 2023
Edited
by admin
on Sat Dec 16 20:18:59 GMT 2023
Record UNII
XB4SH4TG97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Naphthalenesulfonic acid, 4-hydroxy-7-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-, potassium salt
Systematic Name English
Potassium 4-hydroxy-7-((4-(((2-methoxyethoxy)carbonyl)amino)phenyl)amino)naphthalene-2-sulphonate
Systematic Name English
Potassium 4-hydroxy-7-((4-(((2-methoxyethoxy)carbonyl)amino)phenyl)amino)naphthalene-2-sulfonate
Systematic Name English
2-Naphthalenesulfonic acid, 4-hydroxy-7-[[4-[[(2-methoxyethoxy)carbonyl]amino]phenyl]amino]-, potassium salt (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80240402
Created by admin on Sat Dec 16 20:18:59 GMT 2023 , Edited by admin on Sat Dec 16 20:18:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-875-4
Created by admin on Sat Dec 16 20:18:59 GMT 2023 , Edited by admin on Sat Dec 16 20:18:59 GMT 2023
PRIMARY
CAS
94086-85-8
Created by admin on Sat Dec 16 20:18:59 GMT 2023 , Edited by admin on Sat Dec 16 20:18:59 GMT 2023
PRIMARY
PUBCHEM
23662602
Created by admin on Sat Dec 16 20:18:59 GMT 2023 , Edited by admin on Sat Dec 16 20:18:59 GMT 2023
PRIMARY
FDA UNII
XB4SH4TG97
Created by admin on Sat Dec 16 20:18:59 GMT 2023 , Edited by admin on Sat Dec 16 20:18:59 GMT 2023
PRIMARY