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Details

Stereochemistry ACHIRAL
Molecular Formula C20H13O3.Na
Molecular Weight 324.3052
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of sodium 4-oxo-4-(pyren-1-yl)butanoate

SMILES

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

InChI

InChIKey=RVTUQJFTDZOMNF-UHFFFAOYSA-M
InChI=1S/C20H14O3.Na/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13;/h1-9H,10-11H2,(H,22,23);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
sodium 4-oxo-4-(pyren-1-yl)butanoate
Systematic Name English
1-Pyrenebutanoic acid, γ-oxo-, sodium salt (1:1)
Systematic Name English
sodium,4-oxo-4-pyren-1-ylbutanoicacid
Systematic Name English
1-Pyrenebutanoic acid, γ-oxo-, sodium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
23686563
Created by admin on Sat Dec 16 19:23:05 GMT 2023 , Edited by admin on Sat Dec 16 19:23:05 GMT 2023
PRIMARY
FDA UNII
DE3QB35L8W
Created by admin on Sat Dec 16 19:23:05 GMT 2023 , Edited by admin on Sat Dec 16 19:23:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID4069846
Created by admin on Sat Dec 16 19:23:05 GMT 2023 , Edited by admin on Sat Dec 16 19:23:05 GMT 2023
PRIMARY
CAS
63450-99-7
Created by admin on Sat Dec 16 19:23:05 GMT 2023 , Edited by admin on Sat Dec 16 19:23:05 GMT 2023
PRIMARY
NIH
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