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Details

Stereochemistry RACEMIC
Molecular Formula C16H31O2.Na
Molecular Weight 278.4059
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-HEXYLDECANOATE

SMILES

[Na+].CCCCCCCCC(CCCCCC)C([O-])=O

InChI

InChIKey=PJBYSIMNLVXLRD-UHFFFAOYSA-M
InChI=1S/C16H32O2.Na/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;/h15H,3-14H2,1-2H3,(H,17,18);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C16H31O2
Molecular Weight 255.4161
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:52:30 GMT 2023
Edited
by admin
on Sat Dec 16 07:52:30 GMT 2023
Record UNII
65104G179D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 2-HEXYLDECANOATE
Systematic Name English
SODIUM .ALPHA.-HEXYLDECANOATE
Systematic Name English
2-HEXYLDECANOIC ACID SODIUM SALT [MI]
Common Name English
DEVARICIN
Brand Name English
DECANOIC ACID, 2-HEXYL-, SODIUM SALT (1:1)
Systematic Name English
(±)-SODIUM 2-HEXYLDECANOATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20968370
Created by admin on Sat Dec 16 07:52:30 GMT 2023 , Edited by admin on Sat Dec 16 07:52:30 GMT 2023
PRIMARY
CAS
536-37-8
Created by admin on Sat Dec 16 07:52:30 GMT 2023 , Edited by admin on Sat Dec 16 07:52:30 GMT 2023
PRIMARY
MERCK INDEX
m6015
Created by admin on Sat Dec 16 07:52:30 GMT 2023 , Edited by admin on Sat Dec 16 07:52:30 GMT 2023
PRIMARY Merck Index
PUBCHEM
23663631
Created by admin on Sat Dec 16 07:52:30 GMT 2023 , Edited by admin on Sat Dec 16 07:52:30 GMT 2023
PRIMARY
FDA UNII
65104G179D
Created by admin on Sat Dec 16 07:52:30 GMT 2023 , Edited by admin on Sat Dec 16 07:52:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-629-4
Created by admin on Sat Dec 16 07:52:30 GMT 2023 , Edited by admin on Sat Dec 16 07:52:30 GMT 2023
PRIMARY