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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13O3.Na
Molecular Weight 216.2089
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM O-THYMOTATE

SMILES

[Na+].CC(C)C1=CC=C(C)C(C([O-])=O)=C1O

InChI

InChIKey=HTXDULDRRFEGRQ-UHFFFAOYSA-M
InChI=1S/C11H14O3.Na/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14;/h4-6,12H,1-3H3,(H,13,14);/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 C11H13O3
Molecular Weight 193.2191
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:39:30 GMT 2023
Edited
by admin
on Sat Dec 16 06:39:30 GMT 2023
Record UNII
D038ING20B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM O-THYMOTATE
Common Name English
BENZOIC ACID, 2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-, SODIUM SALT (1:1)
Common Name English
SODIUM 3-ISOPROPYL-6-METHYLSALICYLAT
Systematic Name English
BENZOIC ACID, 2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-, MONOSODIUM SALT
Common Name English
P-CYMENE-2-CARBOXYLIC ACID, 3-HYDROXY-, SODIUM SALT
Common Name English
O-THYMOTIC ACID SODIUM SALT [MI]
Common Name English
Code System Code Type Description
FDA UNII
D038ING20B
Created by admin on Sat Dec 16 06:39:30 GMT 2023 , Edited by admin on Sat Dec 16 06:39:30 GMT 2023
PRIMARY
MERCK INDEX
m10833
Created by admin on Sat Dec 16 06:39:30 GMT 2023 , Edited by admin on Sat Dec 16 06:39:30 GMT 2023
PRIMARY Merck Index
PUBCHEM
23691980
Created by admin on Sat Dec 16 06:39:30 GMT 2023 , Edited by admin on Sat Dec 16 06:39:30 GMT 2023
PRIMARY
CAS
1012-86-8
Created by admin on Sat Dec 16 06:39:30 GMT 2023 , Edited by admin on Sat Dec 16 06:39:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID20905982
Created by admin on Sat Dec 16 06:39:30 GMT 2023 , Edited by admin on Sat Dec 16 06:39:30 GMT 2023
PRIMARY