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Details

Stereochemistry ACHIRAL
Molecular Formula C16H9O3S.Na
Molecular Weight 304.296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1-pyrenesulfonate

SMILES

[Na+].[O-]S(=O)(=O)C1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3

InChI

InChIKey=HCOPYCNNZOWMTD-UHFFFAOYSA-M
InChI=1S/C16H10O3S.Na/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H,(H,17,18,19);/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 C16H9O3S
Molecular Weight 281.306
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 12:40:40 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:40 GMT 2023
Record UNII
MY7U5L5NRU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 1-pyrenesulfonate
Common Name English
Sodium pyrene-1-sulfonate
Systematic Name English
1-Pyrenesulfonic acid, sodium salt (1:1)
Systematic Name English
1-Pyrenesulfonic acid, sodium salt
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60208060
Created by admin on Sat Dec 16 12:40:40 GMT 2023 , Edited by admin on Sat Dec 16 12:40:40 GMT 2023
PRIMARY
PUBCHEM
23674489
Created by admin on Sat Dec 16 12:40:40 GMT 2023 , Edited by admin on Sat Dec 16 12:40:40 GMT 2023
PRIMARY
CAS
59323-54-5
Created by admin on Sat Dec 16 12:40:40 GMT 2023 , Edited by admin on Sat Dec 16 12:40:40 GMT 2023
PRIMARY
FDA UNII
MY7U5L5NRU
Created by admin on Sat Dec 16 12:40:40 GMT 2023 , Edited by admin on Sat Dec 16 12:40:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-698-2
Created by admin on Sat Dec 16 12:40:40 GMT 2023 , Edited by admin on Sat Dec 16 12:40:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE