Potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropanesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H49O5S.K
Molecular Weight	536.849
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropanesulfonate

Structure Search

SMILES

[K+].CCCCCCCCCCCCCCCCCCC1=C(O)C=C(C(O)=C1)C(C)(C)CS([O-])(=O)=O

InChI

InChIKey=JVUSYQDCMILMHT-UHFFFAOYSA-M

InChI=1S/C28H50O5S.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-27(30)25(22-26(24)29)28(2,3)23-34(31,32)33;/h21-22,29-30H,4-20,23H2,1-3H3,(H,31,32,33);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C28H49O5S
Molecular Weight	497.751
Charge	-1
Count

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

Molecular Formula	K
Molecular Weight	39.0983
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 `Wed Apr 02 19:46:32 GMT 2025` Edited by `admin` on `Wed Apr 02 19:46:32 GMT 2025`
Record UNII	R2R6VXU8EY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropanesulfonate

Systematic Name

English

Benzeneethanesulfonic acid, 2,5-dihydroxy-?,?-dimethyl-4-octadecyl-, potassium salt

Preferred Name

English

Potassium 2-(2,5-dihydroxy-4-octadecylphenyl)-2-methylpropanesulphonate

Systematic Name

English

Benzeneethanesulfonic acid, 2,5-dihydroxy-?,?-dimethyl-4-octadecyl-, potassium salt (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

R2R6VXU8EY