2,5-Dihydroxy-?,?-dimethyl-4-octadecylbenzeneethanesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H50O5S
Molecular Weight	498.759
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-Dihydroxy-?,?-dimethyl-4-octadecylbenzeneethanesulfonic acid

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCC1=C(O)C=C(C(O)=C1)C(C)(C)CS(O)(=O)=O

InChI

InChIKey=BBHPQIYGXDZOJV-UHFFFAOYSA-N

InChI=1S/C28H50O5S/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)

HIDE SMILES / InChI

Molecular Formula	C28H50O5S
Molecular Weight	498.759
Charge	0
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 21:21:04 GMT 2025` Edited by `admin` on `Wed Apr 02 21:21:04 GMT 2025`
Record UNII	RPF2AY8UZ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

2,5-Dihydroxy-?,?-dimethyl-4-octadecylbenzeneethanesulfonic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

3014961

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

PRIMARY

CAS

98812-07-8

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

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FDA UNII

RPF2AY8UZ6

Created by admin on Wed Apr 02 21:21:04 GMT 2025 , Edited by admin on Wed Apr 02 21:21:04 GMT 2025

PRIMARY

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