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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12N2O11S2.2Na
Molecular Weight 542.404
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]-, disodium salt

SMILES

[Na+].[Na+].OC1=C2C(NC(=O)COC3=CC=CC(=C3)[N+]([O-])=O)=CC=C(C2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=IKSPXCJNRVJVQE-UHFFFAOYSA-L
InChI=1S/C18H14N2O11S2.2Na/c21-15-8-12(32(25,26)27)7-13-16(33(28,29)30)5-4-14(18(13)15)19-17(22)9-31-11-3-1-2-10(6-11)20(23)24;;/h1-8,21H,9H2,(H,19,22)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]-, disodium salt
Systematic Name English
1,7-Naphthalenedisulfonic acid, 5-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]-, sodium salt (1:2)
Systematic Name English
Disodium 5-hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulfonate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70235206
Created by admin on Sat Dec 16 19:50:05 GMT 2023 , Edited by admin on Sat Dec 16 19:50:05 GMT 2023
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PUBCHEM
11971005
Created by admin on Sat Dec 16 19:50:05 GMT 2023 , Edited by admin on Sat Dec 16 19:50:05 GMT 2023
PRIMARY
CAS
85896-02-2
Created by admin on Sat Dec 16 19:50:05 GMT 2023 , Edited by admin on Sat Dec 16 19:50:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
288-779-5
Created by admin on Sat Dec 16 19:50:05 GMT 2023 , Edited by admin on Sat Dec 16 19:50:05 GMT 2023
PRIMARY
FDA UNII
6X9XMH95J9
Created by admin on Sat Dec 16 19:50:05 GMT 2023 , Edited by admin on Sat Dec 16 19:50:05 GMT 2023
PRIMARY