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Details

Stereochemistry ACHIRAL
Molecular Formula C14H9N2O10S2.Na
Molecular Weight 452.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MONOSODIUM 4,4'-DINITROSTILBENE-2,2'-DISULFONATE

SMILES

[Na+].OS(=O)(=O)C1=CC(=CC=C1\C=C\C2=C(C=C(C=C2)[N+]([O-])=O)S([O-])(=O)=O)[N+]([O-])=O

InChI

InChIKey=CPXWJGQVGBSGDW-TYYBGVCCSA-M
InChI=1S/C14H10N2O10S2.Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;/h1-8H,(H,21,22,23)(H,24,25,26);/q;+1/p-1/b2-1+;

HIDE SMILES / InChI

Molecular Formula C14H9N2O10S2
Molecular Weight 429.359
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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 06:58:19 GMT 2023
Edited
by admin
on Sat Dec 16 06:58:19 GMT 2023
Record UNII
W2S1MNU79A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOSODIUM 4,4'-DINITROSTILBENE-2,2'-DISULFONATE
Systematic Name English
BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-NITRO-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
W2S1MNU79A
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
PUBCHEM
21116162
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
CAS
1581352-76-2
Created by admin on Sat Dec 16 06:58:19 GMT 2023 , Edited by admin on Sat Dec 16 06:58:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE