U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H16N2O11S3
Molecular Weight 532.521
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-4-(2-(2-METHOXY-5-METHYL-4-SULFOPHENYL)DIAZENYL)-2,7-NAPHTHALENEDISULFONIC ACID

SMILES

COC1=CC(=C(C)C=C1\N=N\C2=C3C=CC(=CC3=CC(=C2O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=JCWRXRIYVOSWIQ-FMQUCBEESA-N
InChI=1S/C18H16N2O11S3/c1-9-5-13(14(31-2)8-15(9)33(25,26)27)19-20-17-12-4-3-11(32(22,23)24)6-10(12)7-16(18(17)21)34(28,29)30/h3-8,21H,1-2H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)/b20-19+

HIDE SMILES / InChI

Molecular Formula C18H16N2O11S3
Molecular Weight 532.521
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 Tue Apr 01 20:11:50 GMT 2025
Edited
by admin
on Tue Apr 01 20:11:50 GMT 2025
Record UNII
QYG73HXS6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-4-(2-(2-METHOXY-5-METHYL-4-SULFOPHENYL)DIAZENYL)-
Preferred Name English
3-HYDROXY-4-(2-(2-METHOXY-5-METHYL-4-SULFOPHENYL)DIAZENYL)-2,7-NAPHTHALENEDISULFONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
QYG73HXS6Q
Created by admin on Tue Apr 01 20:11:50 GMT 2025 , Edited by admin on Tue Apr 01 20:11:50 GMT 2025
PRIMARY
CAS
685819-22-1
Created by admin on Tue Apr 01 20:11:50 GMT 2025 , Edited by admin on Tue Apr 01 20:11:50 GMT 2025
PRIMARY
PUBCHEM
136669476
Created by admin on Tue Apr 01 20:11:50 GMT 2025 , Edited by admin on Tue Apr 01 20:11:50 GMT 2025
PRIMARY