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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19N3O8S2
Molecular Weight 445.467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4,4'-(DIAZOAMINO)BIS(5-METHOXY-2-METHYLBENZENESULFONIC ACID

SMILES

COC1=CC(=C(C)C=C1N\N=N\C2=CC(C)=C(C=C2OC)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=KEJUDVMRBQVVPG-UHFFFAOYSA-N
InChI=1S/C16H19N3O8S2/c1-9-5-11(13(26-3)7-15(9)28(20,21)22)17-19-18-12-6-10(2)16(29(23,24)25)8-14(12)27-4/h5-8H,1-4H3,(H,17,18)(H,20,21,22)(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C16H19N3O8S2
Molecular Weight 445.467
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 Mon Mar 31 20:52:41 GMT 2025
Edited
by admin
on Mon Mar 31 20:52:41 GMT 2025
Record UNII
MB4S3Q64OK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4'-(DIAZOAMINO)BIS(5-METHOXY-2-METHYLBENZENESULFONIC ACID)
Preferred Name English
4,4'-(DIAZOAMINO)BIS(5-METHOXY-2-METHYLBENZENESULFONIC ACID
Common Name English
BENZENESULFONIC ACID, 4,4'-(1-TRIAZENE-1,3-DIYL)BIS(5-METHOXY-2-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20604180
Created by admin on Mon Mar 31 20:52:41 GMT 2025 , Edited by admin on Mon Mar 31 20:52:41 GMT 2025
PRIMARY
PUBCHEM
20254124
Created by admin on Mon Mar 31 20:52:41 GMT 2025 , Edited by admin on Mon Mar 31 20:52:41 GMT 2025
PRIMARY
FDA UNII
MB4S3Q64OK
Created by admin on Mon Mar 31 20:52:41 GMT 2025 , Edited by admin on Mon Mar 31 20:52:41 GMT 2025
PRIMARY
CAS
60112-02-9
Created by admin on Mon Mar 31 20:52:41 GMT 2025 , Edited by admin on Mon Mar 31 20:52:41 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT