1-ETHYL-2-(8Z)-8-HEPTADECENYL-4,5-DIHYDRO-1- (2-(((9Z)-1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM ETHYL SULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C42H80N3O.C2H5O4S
Molecular Weight	768.228
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 1-ETHYL-2-(8Z)-8-HEPTADECENYL-4,5-DIHYDRO-1- (2-(((9Z)-1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM ETHYL SULFATE

Structure Search

SMILES

CCOS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)NCC[N+]1(CC)CCN=C1CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=RUYPFPITFAOONF-JDVCJPALSA-N

InChI=1S/C42H79N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37-39-45(41,6-3)40-38-44-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3;2H2,1H3,(H,3,4,5)/b21-19-,22-20-;

HIDE SMILES / InChI

Molecular Formula	C42H80N3O
Molecular Weight	643.1041
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	2
Optical Activity	( + / - )

Molecular Formula	C2H5O4S
Molecular Weight	125.124
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 21:55:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:51 GMT 2025`
Record UNII	P72VT44AMQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFURIC ACID, MONOETHYL ESTER, ION(1-), (Z,Z)-1-ETHYL-2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-(2-((1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM

Preferred Name

English

1-ETHYL-2-(8Z)-8-HEPTADECENYL-4,5-DIHYDRO-1- (2-(((9Z)-1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM ETHYL SULFATE

Systematic Name

English

1H-IMIDAZOLIUM, 1-ETHYL-2-(8Z)-8-HEPTADECEN-1-YL-4,5- DIHYDRO-1-(2-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)ETHYL)-, ETHYL SULFATE (1:1)

Systematic Name

English

1-ETHYL-2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-(2-((1-OXO-9-OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM ETHYL SULFATE, (Z,Z)-

Systematic Name

English

(Z,Z)-1-ETHYL-2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-(2-((1-OXO-9- OCTADECENYL)AMINO)ETHYL)-1H-IMIDAZOLIUM ETHYL SULPHATE

Systematic Name

English

1H-IMIDAZOLIUM, 1-ETHYL-2-(8Z)-8-HEPTADECENYL-4,5-DIHYDRO-1- (2-(((9Z)-1-OXO-9-OCTADECENYL)AMINO)ETHYL)-, ETHYL SULFATE

Systematic Name

English

Classification Tree Code System Code

Food Contact Sustance Notif, (FCN No.)

FCN NO. 1105