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Details

Stereochemistry ACHIRAL
Molecular Formula C19H13O4S.Na
Molecular Weight 360.359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Sulfooxymethylbenz(a)anthracene sodium salt

SMILES

[Na+].[O-]S(=O)(=O)OCC1=C2C=CC=CC2=CC3=C1C=CC4=C3C=CC=C4

InChI

InChIKey=JAPKKXHJAVFIOA-UHFFFAOYSA-M
InChI=1S/C19H14O4S.Na/c20-24(21,22)23-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19;/h1-11H,12H2,(H,20,21,22);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benz[a]anthracene-7-methanol, 7-(hydrogen sulfate), sodium salt (1:1)
Preferred Name English
7-Sulfooxymethylbenz(a)anthracene sodium salt
Common Name English
Benz[a]anthracene-7-methanol, hydrogen sulfate, sodium salt
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50909690
Created by admin on Wed Apr 02 17:02:20 GMT 2025 , Edited by admin on Wed Apr 02 17:02:20 GMT 2025
PRIMARY
FDA UNII
6SVD99M5YD
Created by admin on Wed Apr 02 17:02:20 GMT 2025 , Edited by admin on Wed Apr 02 17:02:20 GMT 2025
PRIMARY
PUBCHEM
23707069
Created by admin on Wed Apr 02 17:02:20 GMT 2025 , Edited by admin on Wed Apr 02 17:02:20 GMT 2025
PRIMARY
CAS
105708-80-3
Created by admin on Wed Apr 02 17:02:20 GMT 2025 , Edited by admin on Wed Apr 02 17:02:20 GMT 2025
PRIMARY
NIH
NCATS
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