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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15O2.Na
Molecular Weight 167.1859
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM OCTANOATE C-13

SMILES

[Na+].CCCCCCC[13C]([O-])=O

InChI

InChIKey=BYKRNSHANADUFY-IYWRZBIASA-M
InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1/i8+1;

HIDE SMILES / InChI

Molecular Formula C8H15O2
Molecular Weight 144.1962
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:46:27 GMT 2023
Edited
by admin
on Fri Dec 15 16:46:27 GMT 2023
Record UNII
K216HQ0FFU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM OCTANOATE C-13
Common Name English
SODIUM OCTANOATE-1-(SUP 13)C
Common Name English
SODIUM CAPRYLATE, 1-C-13
Common Name English
SODIUM OCTANOATE C-13, 1-
Common Name English
Code System Code Type Description
FDA UNII
K216HQ0FFU
Created by admin on Fri Dec 15 16:46:27 GMT 2023 , Edited by admin on Fri Dec 15 16:46:27 GMT 2023
PRIMARY
PUBCHEM
23696284
Created by admin on Fri Dec 15 16:46:27 GMT 2023 , Edited by admin on Fri Dec 15 16:46:27 GMT 2023
PRIMARY
CAS
201612-61-5
Created by admin on Fri Dec 15 16:46:27 GMT 2023 , Edited by admin on Fri Dec 15 16:46:27 GMT 2023
PRIMARY