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Details

Stereochemistry ACHIRAL
Molecular Formula C27H24N4O15S4
Molecular Weight 772.757
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(Acetylamino)-4-hydroxy-3-[2-[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid

SMILES

CC(=O)NC1=CC(=CC2=CC(=C(\N=N\C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)S(=O)(=O)CCOS(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=FKWCJJJNJSITMZ-NVQSTNCTSA-N
InChI=1S/C27H24N4O15S4/c1-15(32)28-22-14-21(48(37,38)39)11-17-12-23(49(40,41)42)25(26(33)24(17)22)31-30-18-7-5-16(6-8-18)27(34)29-19-3-2-4-20(13-19)47(35,36)10-9-46-50(43,44)45/h2-8,11-14,33H,9-10H2,1H3,(H,28,32)(H,29,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)/b31-30+

HIDE SMILES / InChI

Approval Year

Name Type Language
5-(Acetylamino)-4-hydroxy-3-[2-[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid
Systematic Name English
2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]diazenyl]-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID2065547
Created by admin on Wed Apr 02 19:16:26 GMT 2025 , Edited by admin on Wed Apr 02 19:16:26 GMT 2025
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FDA UNII
FCH8V44UGT
Created by admin on Wed Apr 02 19:16:26 GMT 2025 , Edited by admin on Wed Apr 02 19:16:26 GMT 2025
PRIMARY
CAS
13588-33-5
Created by admin on Wed Apr 02 19:16:26 GMT 2025 , Edited by admin on Wed Apr 02 19:16:26 GMT 2025
PRIMARY