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Details

Stereochemistry ACHIRAL
Molecular Formula C14H9O4.Na
Molecular Weight 264.2086
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3-(benzoyloxy)benzoate

SMILES

[Na+].[O-]C(=O)C1=CC=CC(OC(=O)C2=CC=CC=C2)=C1

InChI

InChIKey=QFQFPFHUCRQDLH-UHFFFAOYSA-M
InChI=1S/C14H10O4.Na/c15-13(16)11-7-4-8-12(9-11)18-14(17)10-5-2-1-3-6-10;/h1-9H,(H,15,16);/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 C14H9O4
Molecular Weight 241.2189
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 11:58:36 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:36 GMT 2023
Record UNII
U2H2W66995
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3-(benzoyloxy)benzoate
Systematic Name English
Benzoic acid, 3-(benzoyloxy)-, sodium salt (1:1)
Systematic Name English
Benzoic acid, 3-(benzoyloxy)-, sodium salt
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
298-015-2
Created by admin on Sat Dec 16 11:58:36 GMT 2023 , Edited by admin on Sat Dec 16 11:58:36 GMT 2023
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EPA CompTox
DTXSID70239603
Created by admin on Sat Dec 16 11:58:36 GMT 2023 , Edited by admin on Sat Dec 16 11:58:36 GMT 2023
PRIMARY
PUBCHEM
23662572
Created by admin on Sat Dec 16 11:58:36 GMT 2023 , Edited by admin on Sat Dec 16 11:58:36 GMT 2023
PRIMARY
CAS
93776-88-6
Created by admin on Sat Dec 16 11:58:36 GMT 2023 , Edited by admin on Sat Dec 16 11:58:36 GMT 2023
PRIMARY
FDA UNII
U2H2W66995
Created by admin on Sat Dec 16 11:58:36 GMT 2023 , Edited by admin on Sat Dec 16 11:58:36 GMT 2023
PRIMARY