DISODIUM 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-1H-IMIDAZOLIUM HYDROXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H39N2O5.2Na.HO
Molecular Weight	474.5423
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-1H-IMIDAZOLIUM HYDROXIDE

Structure Search

SMILES

[OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCCC([O-])=O)CCC([O-])=O

InChI

InChIKey=SMQFXDSODUOFHN-UHFFFAOYSA-L

InChI=1S/C22H40N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-20-23-14-16-24(20,15-12-21(25)26)17-19-29-18-13-22(27)28;;;/h2-19H2,1H3,(H-,25,26,27,28);;;1H2/q;2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H39N2O5
Molecular Weight	411.5555
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	HO
Molecular Weight	17.0073
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 `Mon Mar 31 22:03:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:03:58 GMT 2025`
Record UNII	WU937CKL4U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-IMIDAZOLIUM, 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-, HYDROXIDE, DISODIUM SALT

Preferred Name

English

DISODIUM 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-1H-IMIDAZOLIUM HYDROXIDE

Systematic Name

English

1H-IMIDAZOLIUM, 1-(2-(2-CARBOXYETHOXY)ETHYL)-1-(2-CARBOXYETHYL)-4,5-DIHYDRO-2-UNDECYL-, HYDROXIDE, SODIUM SALT (1:1:2)

Systematic Name

English

Code System Code Type Description

CAS

68929-04-4