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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13O5S.Na
Molecular Weight 352.337
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-1-naphthalenesulfonate

SMILES

[Na+].OC1=C(CC2=C(O)C=C(C3=CC=CC=C23)S([O-])(=O)=O)C=CC=C1

InChI

InChIKey=VRBSMDAVVGUERI-UHFFFAOYSA-M
InChI=1S/C17H14O5S.Na/c18-15-8-4-1-5-11(15)9-14-12-6-2-3-7-13(12)17(10-16(14)19)23(20,21)22;/h1-8,10,18-19H,9H2,(H,20,21,22);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-, sodium salt
Preferred Name English
Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]-1-naphthalenesulfonate
Systematic Name English
Code System Code Type Description
CAS
85455-71-6
Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025
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FDA UNII
7URM8B8DAS
Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
287-305-4
Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025
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EPA CompTox
DTXSID40234680
Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025
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PUBCHEM
23662547
Created by admin on Wed Apr 02 19:16:57 GMT 2025 , Edited by admin on Wed Apr 02 19:16:57 GMT 2025
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