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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=C(C=C(C)C(=C1)S(O)(=O)=O)\N=N\C2=C(O)C(=CC3=C2C=CC(=C3)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 Sat Dec 16 13:05:18 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:18 GMT 2023
Record UNII
QYG73HXS6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-4-(2-(2-METHOXY-5-METHYL-4-SULFOPHENYL)DIAZENYL)-2,7-NAPHTHALENEDISULFONIC ACID
Systematic Name English
2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-4-(2-(2-METHOXY-5-METHYL-4-SULFOPHENYL)DIAZENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
QYG73HXS6Q
Created by admin on Sat Dec 16 13:05:18 GMT 2023 , Edited by admin on Sat Dec 16 13:05:18 GMT 2023
PRIMARY
CAS
685819-22-1
Created by admin on Sat Dec 16 13:05:18 GMT 2023 , Edited by admin on Sat Dec 16 13:05:18 GMT 2023
PRIMARY
PUBCHEM
136669476
Created by admin on Sat Dec 16 13:05:18 GMT 2023 , Edited by admin on Sat Dec 16 13:05:18 GMT 2023
PRIMARY