SODIUM 2-ETHYLHEXANOATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C8H15O2.Na
Molecular Weight	166.1933
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-ETHYLHEXANOATE, (S)-

Structure Search

SMILES

[Na+].CCCC[C@H](CC)C([O-])=O

InChI

InChIKey=VYPDUQYOLCLEGS-FJXQXJEOSA-M

InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1/t7-;/m0./s1

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	C8H15O2
Molecular Weight	143.2035
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:39:08 GMT 2023` Edited by `admin` on `Sat Dec 16 11:39:08 GMT 2023`
Record UNII	5IR5TMQ2MC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SODIUM 2-ETHYLHEXANOATE, (S)-

Common Name

English

(S)-2-ETHYLHEXANOIC ACID SODIUM SALT

Systematic Name

English

SODIUM 2-ETHYLHEXANOATE, (+)-

Systematic Name

English

HEXANOIC ACID, 2-ETHYL-, SODIUM SALT (1:1), (2S)-

Systematic Name

English

HEXANOIC ACID, 2-ETHYL-, SODIUM SALT, (S)-

Systematic Name

English

J458.026E

Code

English

Code System Code Type Description

FDA UNII

5IR5TMQ2MC

Created by admin on Sat Dec 16 11:39:08 GMT 2023 , Edited by admin on Sat Dec 16 11:39:08 GMT 2023

PRIMARY

CAS

139889-57-9

Created by admin on Sat Dec 16 11:39:08 GMT 2023 , Edited by admin on Sat Dec 16 11:39:08 GMT 2023

PRIMARY

PUBCHEM

24884457

Created by admin on Sat Dec 16 11:39:08 GMT 2023 , Edited by admin on Sat Dec 16 11:39:08 GMT 2023

PRIMARY

Related Record Type Details


					3I6Q454M3J

SODIUM 2-ETHYLHEXANOATE

RACEMATE -> ENANTIOMER