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Details

Stereochemistry ACHIRAL
Molecular Formula C25H20ClN3O13S4
Molecular Weight 734.152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acid

SMILES

OC1=C(N=NC2=C(C=CC=C2)S(O)(=O)=O)C(=CC3=C1C(NC(=O)C4=CC(=CC=C4)S(=O)(=O)CCCl)=CC=C3S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=HAYRGMPWYJSHBP-ZQHSETAFSA-N
InChI=1S/C25H20ClN3O13S4/c26-10-11-43(32,33)15-5-3-4-14(12-15)25(31)27-18-8-9-19(44(34,35)36)16-13-21(46(40,41)42)23(24(30)22(16)18)29-28-17-6-1-2-7-20(17)45(37,38)39/h1-9,12-13,30H,10-11H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b29-28+

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[[3-[(2-Chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-1,7-naphthalenedisulfonic acid
Systematic Name English
1,7-NAPHTHALENEDISULFONIC ACID, 4-((3-((2-CHLOROETHYL)SULFONYL)BENZOYL)AMINO)-5-HYDROXY-6-((2-SULFOPHENYL)AZO)-
Common Name English
1,7-Naphthalenedisulfonic acid, 4-[[3-[(2-chloroethyl)sulfonyl]benzoyl]amino]-5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-
Systematic Name English
Code System Code Type Description
CAS
54518-41-1
Created by admin on Sat Dec 16 12:03:26 GMT 2023 , Edited by admin on Sat Dec 16 12:03:26 GMT 2023
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ECHA (EC/EINECS)
259-196-3
Created by admin on Sat Dec 16 12:03:26 GMT 2023 , Edited by admin on Sat Dec 16 12:03:26 GMT 2023
PRIMARY
FDA UNII
Z9TT3C7TV4
Created by admin on Sat Dec 16 12:03:26 GMT 2023 , Edited by admin on Sat Dec 16 12:03:26 GMT 2023
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EPA CompTox
DTXSID8068961
Created by admin on Sat Dec 16 12:03:26 GMT 2023 , Edited by admin on Sat Dec 16 12:03:26 GMT 2023
PRIMARY
PUBCHEM
108604
Created by admin on Sat Dec 16 12:03:26 GMT 2023 , Edited by admin on Sat Dec 16 12:03:26 GMT 2023
PRIMARY