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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9O3S.Na
Molecular Weight 256.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Acenaphthylenesulfonic acid, 1,2-dihydro-, sodium salt (1:1)

SMILES

[Na+].[O-]S(=O)(=O)C1=C2C=CC=C3CCC(C=C1)=C23

InChI

InChIKey=JRYCCRZEYHRIGD-UHFFFAOYSA-M
InChI=1S/C12H10O3S.Na/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5H2,(H,13,14,15);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H9O3S
Molecular Weight 233.263
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:47 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:47 GMT 2023
Record UNII
X3C29LYC7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Acenaphthylenesulfonic acid, 1,2-dihydro-, sodium salt (1:1)
Systematic Name English
5-Acenaphthylenesulfonic acid, 1,2-dihydro-, sodium salt
Common Name English
Sodium acenaphthene-5-sulfonate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-512-5
Created by admin on Sat Dec 16 19:48:47 GMT 2023 , Edited by admin on Sat Dec 16 19:48:47 GMT 2023
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FDA UNII
X3C29LYC7P
Created by admin on Sat Dec 16 19:48:47 GMT 2023 , Edited by admin on Sat Dec 16 19:48:47 GMT 2023
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PUBCHEM
23663683
Created by admin on Sat Dec 16 19:48:47 GMT 2023 , Edited by admin on Sat Dec 16 19:48:47 GMT 2023
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EPA CompTox
DTXSID10185135
Created by admin on Sat Dec 16 19:48:47 GMT 2023 , Edited by admin on Sat Dec 16 19:48:47 GMT 2023
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CAS
31202-24-1
Created by admin on Sat Dec 16 19:48:47 GMT 2023 , Edited by admin on Sat Dec 16 19:48:47 GMT 2023
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