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Details

Stereochemistry ACHIRAL
Molecular Formula C32H30N2O12S2
Molecular Weight 698.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4,4''-Bis(2,4-dimethoxybenzamido)-2,2''-stilbenedisulfonic acid

SMILES

COC1=CC(OC)=C(C=C1)C(=O)NC2=CC(=C(\C=C\C3=C(C=C(NC(=O)C4=C(OC)C=C(OC)C=C4)C=C3)S(O)(=O)=O)C=C2)S(O)(=O)=O

InChI

InChIKey=KWERBAWTHMJUHY-AATRIKPKSA-N
InChI=1S/C32H30N2O12S2/c1-43-23-11-13-25(27(17-23)45-3)31(35)33-21-9-7-19(29(15-21)47(37,38)39)5-6-20-8-10-22(16-30(20)48(40,41)42)34-32(36)26-14-12-24(44-2)18-28(26)46-4/h5-18H,1-4H3,(H,33,35)(H,34,36)(H,37,38,39)(H,40,41,42)/b6-5+

HIDE SMILES / InChI

Molecular Formula C32H30N2O12S2
Molecular Weight 698.717
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:41:20 GMT 2025
Edited
by admin
on Wed Apr 02 10:41:20 GMT 2025
Record UNII
B2KF5RS9U3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2?-Stilbenedisulfonic acid, 4,4?-bis(2,4-dimethoxybenzamido)-
Preferred Name English
4,4''-Bis(2,4-dimethoxybenzamido)-2,2''-stilbenedisulfonic acid
Systematic Name English
Code System Code Type Description
CAS
25807-07-2
Created by admin on Wed Apr 02 10:41:20 GMT 2025 , Edited by admin on Wed Apr 02 10:41:20 GMT 2025
PRIMARY
PUBCHEM
201629
Created by admin on Wed Apr 02 10:41:20 GMT 2025 , Edited by admin on Wed Apr 02 10:41:20 GMT 2025
PRIMARY
FDA UNII
B2KF5RS9U3
Created by admin on Wed Apr 02 10:41:20 GMT 2025 , Edited by admin on Wed Apr 02 10:41:20 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT