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Details

Stereochemistry ACHIRAL
Molecular Formula C40H83NO3S
Molecular Weight 658.157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DISTEARYL-N-METHYL-3-SULFOPROPYLAMMONIUM

SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS([O-])(=O)=O

InChI

InChIKey=JBYHUWANONCSAQ-UHFFFAOYSA-N
InChI=1S/C40H83NO3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41(3,39-36-40-45(42,43)44)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-40H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
N,N-DISTEARYL-N-METHYL-3-SULFOPROPYLAMMONIUM
Systematic Name English
1-OCTADECANAMINIUM, N-METHYL-N-OCTADECYL-N-(3-SULFOPROPYL)-, INNER SALT
Systematic Name English
N-METHYL-N-OCTADECYL-N-(3-SULFOPROPYL)-1-OCTADECANAMINIUM
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00196472
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
CAS
45319-57-1
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-231-4
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
FDA UNII
3CF81UOO4D
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY
PUBCHEM
131634767
Created by admin on Sat Dec 16 08:57:32 GMT 2023 , Edited by admin on Sat Dec 16 08:57:32 GMT 2023
PRIMARY