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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N2O6S2
Molecular Weight 476.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(1,2-PHENYLENEBIS(METHYLENE))BIS(2-(2-SULFONATOETHYL)PYRIDINIUM)

SMILES

[O-]S(=O)(=O)CCC1=[N+](CC2=CC=CC=C2C[N+]3=C(CCS([O-])(=O)=O)C=CC=C3)C=CC=C1

InChI

InChIKey=NBKNNGIDZTZNTA-UHFFFAOYSA-N
InChI=1S/C22H24N2O6S2/c25-31(26,27)15-11-21-9-3-5-13-23(21)17-19-7-1-2-8-20(19)18-24-14-6-4-10-22(24)12-16-32(28,29)30/h1-10,13-14H,11-12,15-18H2

HIDE SMILES / InChI

Molecular Formula C22H24N2O6S2
Molecular Weight 476.566
Charge 0
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 12:28:52 GMT 2023
Edited
by admin
on Sat Dec 16 12:28:52 GMT 2023
Record UNII
B9T7AFM9FJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-(1,2-PHENYLENEBIS(METHYLENE))BIS(2-(2-SULFONATOETHYL)PYRIDINIUM)
Systematic Name English
1,1'-(1,2-PHENYLENEBIS(METHYLENE))BIS(2-(2-SULPHONATOETHYL)PYRIDINIUM)
Systematic Name English
2-(1-((2-((2-(2-SULFONATOETHYL)PYRIDIN-1-IUM-1-YL)METHYL)PHENYL)METHYL)PYRIDIN-1-IUM-2-YL)ETHANESULFONATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
265-239-7
Created by admin on Sat Dec 16 12:28:52 GMT 2023 , Edited by admin on Sat Dec 16 12:28:52 GMT 2023
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EPA CompTox
DTXSID80215099
Created by admin on Sat Dec 16 12:28:52 GMT 2023 , Edited by admin on Sat Dec 16 12:28:52 GMT 2023
PRIMARY
CAS
64794-67-8
Created by admin on Sat Dec 16 12:28:52 GMT 2023 , Edited by admin on Sat Dec 16 12:28:52 GMT 2023
PRIMARY
FDA UNII
B9T7AFM9FJ
Created by admin on Sat Dec 16 12:28:52 GMT 2023 , Edited by admin on Sat Dec 16 12:28:52 GMT 2023
PRIMARY
PUBCHEM
6454965
Created by admin on Sat Dec 16 12:28:52 GMT 2023 , Edited by admin on Sat Dec 16 12:28:52 GMT 2023
PRIMARY